Chemical ID: 4753776

Cc1cccc(c1C(=O)O)NC(=O)c2ccc(s2)c3ccccc3
Chemical ID:
4753776
Name [?]:
2-methyl-6-[(5-phenyl-2-thienyl)carbonylamino]benzoic acid
SMILES [?]:
Cc1cccc(c1C(=O)O)NC(=O)c2ccc(s2)c3ccccc3
InChi [?]:
InChI=1/C19H15NO3S/c1-12-6-5-9-14(17(12)19(22)23)20-18(21)16-11-10-15(24-16)13-7-3-2-4-8-13/h2-11H,1H3,(H,20,21)(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,22,21,23,4,3,20,24,5,16,15,2,19,6,17,14,7,12,8,11,13,9,10,18/E:(3,4)(7,8)(22,23)/rA:24nCCCCCCCCOONCOCCCCSCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s6;s11;d12;s12;d14;s15;d16;s14s17;s17;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15NO3S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.9756
Area:541.428
Solvation:-2.56009
Coulombic:-52.3482
Bond Count [?]
All:26
Single:16
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:337.393
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.24
LogP (Chemaxon):4.58

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue