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Chemical ID: 4752747
Chemical ID:
4752747
Name [?]:
3-(phenylcarbamoylamino)benzoic acid
SMILES [?]:
c1ccc(cc1)NC(=O)Nc2cccc(c2)C(=O)O
InChi [?]:
InChI=1/C14H12N2O3/c17-13(18)10-5-4-8-12(9-10)16-14(19)15-11-6-2-1-3-7-11/h1-9H,(H,17,18)(H2,15,16,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,13,14,3,5,12,16,15,4,11,17,8,7,10,18,19,9/E:(2,3)(6,7)(17,18)/rA:19nCCCCCCNCONCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H12N2O3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.28517 |
Area: | 443.545 |
Solvation: | -2.80345 |
Coulombic: | -62.5545 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 256.257 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 2.1 |
LogP (Chemaxon): | 3.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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