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Chemical ID: 6466819
Chemical ID:
6466819
Name [?]:
2-(3,4-dimethylbenzoyl)amino-5-methyl-benzoic acid
SMILES [?]:
Cc1ccc(c(c1)C(=O)O)NC(=O)c2ccc(c(c2)C)C
InChi [?]:
InChI=1/C17H17NO3/c1-10-4-7-15(14(8-10)17(20)21)18-16(19)13-6-5-11(2)12(3)9-13/h4-9H,1-3H3,(H,18,19)(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,21,20,3,16,15,4,7,19,2,17,18,14,6,5,12,8,11,13,9,10/E:(20,21)/rA:21nCCCCCCCCOONCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s5;s11;d12;s12;s14;d15;s16;d17;d14s18;s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17NO3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.96457 |
Area: | 481.192 |
Solvation: | -2.06523 |
Coulombic: | -50.7447 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 283.322 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.56 |
LogP (Chemaxon): | 4.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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