Chemical ID: 5189424

CNC(=O)Nc1cccc(c1)C(=O)O
Chemical ID:
5189424
Name [?]:
3-(methylcarbamoylamino)benzoic acid
SMILES [?]:
CNC(=O)Nc1cccc(c1)C(=O)O
InChi [?]:
InChI=1/C9H10N2O3/c1-10-9(14)11-7-4-2-3-6(5-7)8(12)13/h2-5H,1H3,(H,12,13)(H2,10,11,14)
InChi Info:
AuxInfo=1/1/N:1,8,9,7,11,10,6,12,3,2,5,13,14,4/E:(12,13)/rA:14nCNCONCCCCCCCOO/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s10;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H10N2O3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.59435
Area:366.056
Solvation:-2.55705
Coulombic:-61.6107
Bond Count [?]
All:14
Single:9
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:194.187
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:0.53
LogP (Chemaxon):0.86

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