Molecule

ID:69211

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄ClNO
Molecular Mass
163.64516
Exact Mass
163.07639175
Charge
0
InChI
InChI=1S/C7H13NO.ClH/c9-7-3-5-1-2-6(4-7)8-5;/h5-9H,1-4H2;1H
InChIKey
RROJVSOIIWHLCQ-UHFFFAOYSA-N
Canonic Smiles
OC1CC2CCC(C1)N2.Cl
Isomeric Smiles
C12CC(CC(CC1)N2)O.Cl
Calculated Properties
JChem
Acid pKa
15.161619
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.5869532
LogD (pH = 7.4)
-3.3273478
Log P
-0.34948727
Molar Refractivity
35.2991
Polarizability
14.310322
Polar Surface Area
32.26
Rotatable Bonds
0
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
No Data Available
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Molecule Details
References
Bioactivity
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