Molecule

ID:48901

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇ClN₂O
Molecular Mass
204.69708
Exact Mass
204.10294085
Charge
0
InChI
InChI=1S/C9H16N2O.ClH/c12-9(8-4-3-5-10-8)11-6-1-2-7-11;/h8,10H,1-7H2;1H
InChIKey
NFNGYUXIXLYXKH-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CCCN1)N1CCCC1.Cl
Isomeric Smiles
C(=O)(N1CCCC1)C1NCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.2579067
LogD (pH = 7.4)
-2.4092274
Log P
-0.050934426
Molar Refractivity
47.2209
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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