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Chemical ID: 6505489
Chemical ID:
6505489
Name [?]:
3-benzamido-4-methyl-benzoic acid
SMILES [?]:
Cc1ccc(cc1NC(=O)c2ccccc2)C(=O)O
InChi [?]:
InChI=1/C15H13NO3/c1-10-7-8-12(15(18)19)9-13(10)16-14(17)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17)(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,14,13,15,12,16,3,4,6,2,11,5,7,9,17,8,10,18,19/E:(3,4)(5,6)(18,19)/rA:19nCCCCCCCNCOCCCCCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s5;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13NO3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.53144 |
Area: | 446.591 |
Solvation: | -2.63333 |
Coulombic: | -50.3905 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 255.269 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.83 |
LogP (Chemaxon): | 2.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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