Molecule

ID:62372

General Information
Structure
Molecular Formula
C₈H₁₇ClN₂O
Molecular Mass
192.68638
Exact Mass
192.10294085
Charge
0
InChI
InChI=1S/C8H16N2O.ClH/c1-8(7(11)9-2)4-3-5-10-6-8;/h10H,3-6H2,1-2H3,(H,9,11);1H
InChIKey
ULIBIFLLICSJFK-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)C1(C)CCCNC1.Cl
Isomeric Smiles
C1(C(=O)NC)(CNCCC1)C.Cl
Calculated Properties
JChem
Acid pKa
16.275063
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.1932433
LogD (pH = 7.4)
-2.2981923
Log P
0.008887387
Molar Refractivity
44.1412
Polarizability
17.470844
Polar Surface Area
41.13
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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