Molecule

ID:37663

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄ClNO
Molecular Mass
163.64516
Exact Mass
163.07639175
Charge
0
InChI
InChI=1S/C7H14ClNO/c1-4-7(2,3)9-6(10)5-8/h4-5H2,1-3H3,(H,9,10)
InChIKey
PYKFVBXCTGQAMW-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)NC(CC)(C)C
Isomeric Smiles
C(=O)(NC(CC)(C)C)CCl
Calculated Properties
JChem
Acid pKa
13.28753
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.3072135
LogD (pH = 7.4)
1.3072131
Log P
1.3072135
Molar Refractivity
42.4454
Polarizability
16.679893
Polar Surface Area
29.1
Rotatable Bonds
3
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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