Chemical ID: 5112016

CC1=C(C(CC(=O)N1)c2ccccc2)C(=O)O
Chemical ID:
5112016
Name [?]:
2-methyl-6-oxo-4-phenyl-4,5-dihydro-1H-pyridine-3-carboxylic acid
SMILES [?]:
CC1=C(C(CC(=O)N1)c2ccccc2)C(=O)O
InChi [?]:
InChI=1/C13H13NO3/c1-8-12(13(16)17)10(7-11(15)14-8)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,14,15)(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,12,11,13,10,14,5,2,9,4,6,3,15,8,7,16,17/E:(3,4)(5,6)(16,17)/rA:17cCCCCCCONCCCCCCCOO/rB:s1;d2;s3;s4;s5;d6;s2s6;s4;s9;d10;s11;d12;d9s13;s3;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H13NO3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:6.96808
Area:382.728
Solvation:-2.60012
Coulombic:-46.7786
Bond Count [?]
All:18
Single:12
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:231.247
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:0.86
LogP (Chemaxon):0.38

Name Annotations

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Descriptor Annotations

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