Molecule

ID:48843

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇ClN₂O
Molecular Mass
192.68638
Exact Mass
192.10294085
Charge
0
InChI
InChI=1S/C8H16N2O.ClH/c1-8(2,9)7(11)10-5-3-4-6-10;/h3-6,9H2,1-2H3;1H
InChIKey
SROZEDZYTCNAFC-UHFFFAOYSA-N
Canonic Smiles
O=C(C(N)(C)C)N1CCCC1.Cl
Isomeric Smiles
C(=O)(N1CCCC1)C(N)(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.8802872
LogD (pH = 7.4)
-1.3528371
Log P
-0.09973844
Molar Refractivity
44.3672
Polarizability
17.470844
Polar Surface Area
46.33
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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