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Chemical ID: 4907750
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
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Experimental Annotations
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Descriptor Annotations
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