Molecule

ID:15717

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)10-5-3-8(4-6-10)9(11)12;/h7-8H,3-6H2,1-2H3,(H,11,12);1H
InChIKey
CEPJGCZBWYSENC-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CCN(CC1)C(C)C.Cl
Isomeric Smiles
C(N1CCC(CC1)C(=O)O)(C)C.Cl
Calculated Properties
JChem
Acid pKa
4.357189
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.7180437
LogD (pH = 7.4)
-1.6944729
Log P
-1.6943382
Molar Refractivity
47.5374
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
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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