Chemical ID: 4812232

c1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)F)CCO
Chemical ID:
4812232
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)F)CCO
InChi [?]:
InChI=1/C19H14FNO4/c20-12-7-5-11(6-8-12)16-15-17(23)13-3-1-2-4-14(13)25-18(15)19(24)21(16)9-10-22/h1-8,16,22H,9-10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,17,21,18,20,23,24,16,19,5,4,9,15,7,10,12,22,14,25,8,13,11/E:(5,6)(7,8)/rA:25cCCCCCCCOCCOCONCCCCCCCFCCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;d9;s4s10;s10;d12;s12;s9s14;s15;s16;d17;s18;d19;d16s20;s19;s14;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H14FNO4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:7.95715
Area:505.604
Solvation:-4.68295
Coulombic:-55.9306
Bond Count [?]
All:28
Single:19
Double:9
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:339.317
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.87
LogP (Chemaxon):2.35

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