Chemical ID: 6499766

CC1=C(C(=O)NC(=O)C1=CNc2ccccc2O)C#N
Chemical ID:
6499766
Name [?]:
5-[(2-hydroxyphenyl)aminomethylene]-4-methyl-2,6-dioxo-pyridine-3-carbonitrile
SMILES [?]:
CC1=C(C(=O)NC(=O)C1=CNc2ccccc2O)C#N
InChi [?]:
InChI=1/C14H11N3O3/c1-8-9(6-15)13(19)17-14(20)10(8)7-16-11-4-2-3-5-12(11)18/h2-5,7,16,18H,1H3,(H,17,19,20)
InChi Info:
AuxInfo=1/1/N:1,14,15,13,16,19,10,2,3,9,12,17,4,7,20,11,6,18,5,8/rA:20nCCCCONCOCCNCCCCCCOCN/rB:s1;d2;s3;d4;s4;s6;d7;s2s7;w9;s10;s11;s12;d13;s14;d15;d12s16;s17;s3;t19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11N3O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.42964
Area:447.449
Solvation:-3.75659
Coulombic:-59.9696
Bond Count [?]
All:21
Single:13
Double:7
Rotors:2
Chiral:1
Rigid Segments:2
Chemical Properties
Molecular Weight:269.256
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:1.06
LogP (Chemaxon):0.6

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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