Molecule

ID:37128

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇ClN₂O
Molecular Mass
192.68638
Exact Mass
192.10294085
Charge
0
InChI
InChI=1S/C8H16N2O.ClH/c1-9-8(11)6-7-2-4-10-5-3-7;/h7,10H,2-6H2,1H3,(H,9,11);1H
InChIKey
JBFGMCLJDVAIMG-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)CC1CCNCC1.Cl
Isomeric Smiles
C(=O)(NC)CC1CCNCC1.Cl
Calculated Properties
JChem
Acid pKa
16.397362
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.7358294
LogD (pH = 7.4)
-3.070247
Log P
-0.5144329
Molar Refractivity
44.3693
Polarizability
17.470844
Polar Surface Area
41.13
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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