Molecule

ID:55832

General Information
Structure
Molecular Formula
C₉H₁₈ClNO₂
Molecular Mass
207.69772
Exact Mass
207.1026065
Charge
0
InChI
InChI=1S/C9H17NO2.ClH/c1-3-9(8(11)12-2)4-6-10-7-5-9;/h10H,3-7H2,1-2H3;1H
InChIKey
MVPPUJFJCDITEH-UHFFFAOYSA-N
Canonic Smiles
CCC1(CCNCC1)C(=O)OC.Cl
Isomeric Smiles
C1CNCCC1(CC)C(=O)OC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.162906
LogD (pH = 7.4)
-1.1688522
Log P
1.0267092
Molar Refractivity
46.9464
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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