Chemical ID: 5776754

CC(=CC(=O)C)Nc1ccccc1C#N
Chemical ID:
5776754
Name [?]:
2-(1-methyl-3-oxo-but-1-enyl)aminobenzonitrile
SMILES [?]:
CC(=CC(=O)C)Nc1ccccc1C#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C12H12N2O
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.25167
Area:386.57
Solvation:-2.41259
Coulombic:-21.9351
Bond Count [?]
All:15
Single:9
Double:5
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:200.237
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.32
LogP (Chemaxon):1.6

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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