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Chemical ID: 6733467
Chemical ID:
6733467
Name [?]:
3-(2-aminobenzoyl)aminobenzoate
SMILES [?]:
c1ccc(c(c1)C(=O)Nc2cccc(c2)C(=O)[O-])N
InChi [?]:
InChI=1/C14H12N2O3/c15-12-7-2-1-6-11(12)13(17)16-10-5-3-4-9(8-10)14(18)19/h1-8H,15H2,(H,16,17)(H,18,19)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,12,13,11,6,3,15,14,10,5,4,7,16,19,9,8,17,18/E:(18,19)/rA:19nCCCCCCCONCCCCCCCOO-N/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s14;d16;s16;s4;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11N2O3- |
All Atoms: | 30 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -34.996 |
Area: | 437.064 |
Solvation: | -45.9226 |
Coulombic: | -37.2255 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 255.249 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 1.74 |
LogP (Chemaxon): | 2.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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