Molecule

ID:45824

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇ClN₂O
Molecular Mass
204.69708
Exact Mass
204.10294085
Charge
0
InChI
InChI=1S/C9H16N2O.ClH/c12-9(7-1-2-7)11-8-3-5-10-6-4-8;/h7-8,10H,1-6H2,(H,11,12);1H
InChIKey
WHBFOXCWMNFKRX-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CC1)NC1CCNCC1.Cl
Isomeric Smiles
C(=O)(C1CC1)NC1CCNCC1.Cl
Calculated Properties
JChem
Acid pKa
15.944512
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.6032624
LogD (pH = 7.4)
-2.9189553
Log P
-0.38305786
Molar Refractivity
46.9182
Polarizability
18.585028
Polar Surface Area
41.13
Rotatable Bonds
2
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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