Chemical ID: 4907750

c1ccc(c(c1)C(=O)O)Nc2cccc(c2)C(=O)O
Chemical ID:
4907750
Name [?]:
2-(3-carboxyphenyl)aminobenzoic acid
SMILES [?]:
c1ccc(c(c1)C(=O)O)Nc2cccc(c2)C(=O)O
InChi [?]:
InChI=1/C14H11NO4/c16-13(17)9-4-3-5-10(8-9)15-12-7-2-1-6-11(12)14(18)19/h1-8,15H,(H,16,17)(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,13,14,12,6,3,16,15,11,5,4,17,7,10,18,19,8,9/E:(16,17)(18,19)/rA:19nCCCCCCCOONCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;s10;s11;d12;s13;d14;d11s15;s15;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11NO4
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.98707
Area:431.59
Solvation:-2.80268
Coulombic:-67.0805
Bond Count [?]
All:20
Single:12
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:257.241
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:3.11
LogP (Chemaxon):2.98

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