Molecule

ID:37725

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄ClNO
Molecular Mass
175.65586
Exact Mass
175.07639175
Charge
0
InChI
InChI=1S/C8H14ClNO/c1-7(9)8(11)10-5-3-2-4-6-10/h7H,2-6H2,1H3
InChIKey
KQDJFMIFLYHGOL-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)N1CCCCC1)Cl
Isomeric Smiles
C(=O)(N1CCCCC1)C(Cl)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.373538
LogD (pH = 7.4)
1.373538
Log P
1.373538
Molar Refractivity
45.6484
Polarizability
17.797028
Polar Surface Area
20.31
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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