Molecule

ID:31153

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇ClN₂O
Molecular Mass
204.69708
Exact Mass
204.10294085
Charge
0
InChI
InChI=1S/C9H16N2O.ClH/c12-9-7-10-5-6-11(9)8-3-1-2-4-8;/h8,10H,1-7H2;1H
InChIKey
LRCZUYWNKQREEG-UHFFFAOYSA-N
Canonic Smiles
O=C1CNCCN1C1CCCC1.Cl
Isomeric Smiles
N1(C(=O)CNCC1)C1CCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4460995
LogD (pH = 7.4)
-0.05204374
Log P
0.108691275
Molar Refractivity
46.8378
Polarizability
18.585028
Polar Surface Area
32.34
Rotatable Bonds
1
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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