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Chemical ID: 6499766
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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