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Chemical ID: 7144955
Chemical ID:
7144955
Name [?]:
3-[(3-chlorophenyl)carbamoylamino]-4-methyl-benzoic acid
SMILES [?]:
Cc1ccc(cc1NC(=O)Nc2cccc(c2)Cl)C(=O)O
InChi [?]:
InChI=1/C15H13ClN2O3/c1-9-5-6-10(14(19)20)7-13(9)18-15(21)17-12-4-2-3-11(16)8-12/h2-8H,1H3,(H,19,20)(H2,17,18,21)
InChi Info:
AuxInfo=1/1/N:1,14,15,13,3,4,6,17,2,5,16,12,7,19,9,18,11,8,20,21,10/E:(19,20)/rA:21nCCCCCCCNCONCCCCCCClCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;s5;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13ClN2O3 |
All Atoms: | 34 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.62272 |
Area: | 496.857 |
Solvation: | -2.79871 |
Coulombic: | -62.4788 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 304.728 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 2.95 |
LogP (Chemaxon): | 3.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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