Chemical ID: 6495595

CC1=C(C(=O)N(C(=O)C1=CNc2ccc(cc2)O)C)C#N
Chemical ID:
6495595
Name [?]:
5-[(4-hydroxyphenyl)aminomethylene]-1,4-dimethyl-2,6-dioxo-pyridine-3-carbonitrile
SMILES [?]:
CC1=C(C(=O)N(C(=O)C1=CNc2ccc(cc2)O)C)C#N
InChi [?]:
InChI=1/C15H13N3O3/c1-9-12(7-16)14(20)18(2)15(21)13(9)8-17-10-3-5-11(19)6-4-10/h3-6,8,17,19H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,13,17,14,16,20,10,2,12,15,3,9,4,7,21,11,6,18,5,8/E:(3,4)(5,6)/rA:21nCCCCONCOCCNCCCCCCOCCN/rB:s1;d2;s3;d4;s4;s6;d7;s2s7;w9;s10;s11;s12;d13;s14;d15;d12s16;s15;s6;s3;t20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13N3O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.05293
Area:473.808
Solvation:-3.79226
Coulombic:-55.3411
Bond Count [?]
All:22
Single:14
Double:7
Rotors:2
Chiral:1
Rigid Segments:2
Chemical Properties
Molecular Weight:283.282
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:0.35
LogP (Chemaxon):0.85

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