Chemical ID: 7746186

c1ccc(c(c1)C2=NN(C(C2)c3ccc(cc3)F)C(=O)c4ccco4)O
Chemical ID:
7746186
Name [?]:
None
SMILES [?]:
c1ccc(c(c1)C2=NN(C(C2)c3ccc(cc3)F)C(=O)c4ccco4)O
InChi [?]:
InChI=1/C20H15FN2O3/c21-14-9-7-13(8-10-14)17-12-16(15-4-1-2-5-18(15)24)22-23(17)20(25)19-6-3-11-26-19/h1-11,17,24H,12H2
InChi Info:
AuxInfo=1/0/N:1,2,23,6,3,22,13,17,14,16,24,11,12,15,5,7,10,4,21,19,18,8,9,26,20,25/E:(7,8)(9,10)/rA:26cCCCCCCCNNCCCCCCCCFCOCCCCOO/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;s9;s7s10;s10;s12;d13;s14;d15;d12s16;s15;s9;d19;s19;d21;s22;d23;s21s24;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H15FN2O3
All Atoms:41
Heavy Atoms:26
Chiral Atoms:None
ZAP Information [?]
Total:7.71473
Area:524.24
Solvation:-5.39128
Coulombic:-44.2286
Bond Count [?]
All:29
Single:19
Double:10
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.92
LogP (Chemaxon):None

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