Chemical ID: 7970056

c1ccc(cc1)c2c(c(c3cc(ccc3n2)F)C(=O)O)CC(=O)O
Chemical ID:
7970056
Name [?]:
3-(carboxymethyl)-6-fluoro-2-phenyl-quinoline-4-carboxylic acid
SMILES [?]:
c1ccc(cc1)c2c(c(c3cc(ccc3n2)F)C(=O)O)CC(=O)O
InChi [?]:
InChI=1/C18H12FNO4/c19-11-6-7-14-12(8-11)16(18(23)24)13(9-15(21)22)17(20-14)10-4-2-1-3-5-10/h1-8H,9H2,(H,21,22)(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,13,14,11,21,4,12,10,8,15,22,9,7,18,17,16,23,24,19,20/E:(2,3)(4,5)(21,22)(23,24)/rA:24nCCCCCCCCCCCCCCCNFCOOCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s10;d11;s12;d13;d10s14;d7s15;s12;s9;d18;s18;s8;s21;d22;s22;/rC:.0195,1.4399,.0954;1.2118,2.127,.2364;2.4118,1.4465,.2013;2.4209,.064,.0232;1.2164,-.6232,-.1183;.0224,.0679,-.0816;3.7072,-.6729,-.0159;3.8379,-1.8471,.7407;5.0371,-2.546,.7123;6.1107,-2.0035,-.1213;7.354,-2.6367,-.2145;8.3283,-2.0967,-1.0046;8.0974,-.9204,-1.7197;6.899,-.2807,-1.6501;5.871,-.8083,-.8458;4.6844,-.2054,-.7634;9.5299,-2.7078,-1.0947;5.2222,-3.787,1.4926;4.9497,-4.8621,.9973;5.6932,-3.7261,2.7533;2.6873,-2.3449,1.5769;1.922,-3.3902,.807;2.2747,-3.6992,-.3066;.8485,-3.9779,1.3582;

Chemical Details

Atom Count
Formula:C18H12FNO4
All Atoms:36
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:7.74656
Area:480.129
Solvation:-4.25666
Coulombic:-61.9893
Bond Count [?]
All:38
Single:28
Double:10
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:325.291
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.36
LogP (Chemaxon):3.51

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue