Chemical ID: 4730111

C1CCC(=O)C(C1)CCC#N
Chemical ID:
4730111
Name [?]:
3-(2-oxocyclohexyl)propanenitrile
SMILES [?]:
C1CCC(=O)C(C1)CCC#N
InChi [?]:
InChI=1/C9H13NO/c10-7-3-5-8-4-1-2-6-9(8)11/h8H,1-6H2
InChi Info:
AuxInfo=1/0/N:1,2,9,7,8,3,10,6,4,11,5/rA:11cCCCCOCCCCCN/rB:s1;s2;s3;d4;s4;s1s6;s6;s8;s9;t10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H13NO
All Atoms:11
Heavy Atoms:11
Chiral Atoms:1
ZAP Information [?]
Total:5.96881
Area:325.287
Solvation:-2.16337
Coulombic:-9.41506
Bond Count [?]
All:11
Single:9
Double:1
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:151.206
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.8
LogP (Chemaxon):1.99

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Descriptor Annotations

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