Chemical ID: 6505489

Cc1ccc(cc1NC(=O)c2ccccc2)C(=O)O
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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Descriptor Annotations

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