Chemical ID: 6423385

Cc1c(c2ccccc2c(=NC(=O)C)o1)C#N
Chemical ID:
6423385
Name [?]:
N-(4-cyano-3-methyl-isochromen-1-ylidene)acetamide
SMILES [?]:
Cc1c(c2ccccc2c(=NC(=O)C)o1)C#N
InChi [?]:
InChI=1/C13H10N2O2/c1-8-12(7-14)10-5-3-4-6-11(10)13(17-8)15-9(2)16/h3-6H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,6,7,5,8,16,2,12,4,9,3,10,17,11,13,15/rA:17nCCCCCCCCCCNCOCOCN/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s9;w10;s11;d12;s12;s2s10;s3;t16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H10N2O2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.28316
Area:395.112
Solvation:-2.59465
Coulombic:-25.7201
Bond Count [?]
All:18
Single:11
Double:6
Rotors:1
Chiral:1
Rigid Segments:2
Chemical Properties
Molecular Weight:226.231
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.93
LogP (Chemaxon):1.52

Name Annotations

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Descriptor Annotations

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