Molecule

ID:37719

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄ClNO
Molecular Mass
175.65586
Exact Mass
175.07639175
Charge
0
InChI
InChI=1S/C8H14ClNO/c1-6(9)8(11)10-7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,10,11)
InChIKey
YVDWCPUGVCYCNP-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)NC1CCCC1)Cl
Isomeric Smiles
C(=O)(NC1CCCC1)C(Cl)C
Calculated Properties
JChem
Acid pKa
13.218739
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.6541977
LogD (pH = 7.4)
1.6541971
Log P
1.6541977
Molar Refractivity
45.0229
Polarizability
17.797024
Polar Surface Area
29.1
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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