Molecule

ID:61544

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇ClN₂O
Molecular Mass
204.69708
Exact Mass
204.10294085
Charge
0
InChI
InChI=1S/C9H16N2O.ClH/c12-8-2-1-3-9(11-8)4-6-10-7-5-9;/h10H,1-7H2,(H,11,12);1H
InChIKey
IZCHOSJMQQZACI-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCC2(N1)CCNCC2.Cl
Isomeric Smiles
C1CC2(NC(=O)C1)CCNCC2.Cl
Calculated Properties
JChem
Acid pKa
14.689257
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.7865982
LogD (pH = 7.4)
-3.0854423
Log P
-0.5675137
Molar Refractivity
46.9049
Polarizability
18.585028
Polar Surface Area
41.13
Rotatable Bonds
0
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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