Chemical ID: 5421472

CC1CCCCC1Nc2ccc(cc2C#N)[N+](=O)[O-]
Chemical ID:
5421472
Name [?]:
2-(2-methylcyclohexyl)amino-5-nitro-benzonitrile
SMILES [?]:
CC1CCCCC1Nc2ccc(cc2C#N)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C14H17N3O2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:2
ZAP Information [?]
Total:4.4414
Area:454.009
Solvation:-6.90883
Coulombic:-26.3235
Bond Count [?]
All:20
Single:15
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:259.304
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.71
LogP (Chemaxon):3.38

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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