Molecule

ID:15726

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈ClNO₂
Molecular Mass
207.69772
Exact Mass
207.1026065
Charge
0
InChI
InChI=1S/C9H17NO2.ClH/c1-7(2)10-5-3-4-8(6-10)9(11)12;/h7-8H,3-6H2,1-2H3,(H,11,12);1H
InChIKey
AYFNNEQQHBWBAT-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CCCN(C1)C(C)C.Cl
Isomeric Smiles
C(N1CC(CCC1)C(=O)O)(C)C.Cl
Calculated Properties
JChem
Acid pKa
3.9320154
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.547326
LogD (pH = 7.4)
-1.5384077
Log P
-1.5382508
Molar Refractivity
47.3834
Polarizability
18.621471
Polar Surface Area
40.54
Rotatable Bonds
2
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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