Molecule

ID:45772

General Information
Structure
Molecular Formula
C₉H₁₈ClNO₂
Molecular Mass
207.69772
Exact Mass
207.1026065
Charge
0
InChI
InChI=1S/C9H17NO2.ClH/c1-7(2)9(11)12-8-4-3-5-10-6-8;/h7-8,10H,3-6H2,1-2H3;1H
InChIKey
BZAOVDMBZDSDHS-UHFFFAOYSA-N
Canonic Smiles
O=C(C(C)C)OC1CCCNC1.Cl
Isomeric Smiles
C(=O)(OC1CNCCC1)C(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.8598076
LogD (pH = 7.4)
-0.58115256
Log P
1.2672316
Molar Refractivity
46.5498
Polarizability
18.871552
Polar Surface Area
38.33
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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