Molecule

ID:124351

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇ClN₂O
Molecular Mass
204.69708
Exact Mass
204.10294085
Charge
0
InChI
InChI=1S/C9H16N2O.ClH/c10-8-3-5-11(6-4-8)9(12)7-1-2-7;/h7-8H,1-6,10H2;1H
InChIKey
FYCFAYLOCFYRKN-UHFFFAOYSA-N
Canonic Smiles
NC1CCN(CC1)C(=O)C1CC1.Cl
Isomeric Smiles
C(=O)(N1CCC(CC1)N)C1CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.6097898
LogD (pH = 7.4)
-3.0408552
Log P
-0.59196216
Molar Refractivity
47.0403
Polarizability
18.585028
Polar Surface Area
46.33
Rotatable Bonds
1
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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