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Chemical ID: 6495595
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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