Molecule

ID:48774

General Information
Structure
MolImage
Molecular Formula
C₉H₂₁ClN₂O
Molecular Mass
208.72884
Exact Mass
208.13424098
Charge
0
InChI
InChI=1S/C9H20N2O.ClH/c1-4-6-11(7-5-2)9(12)8-10-3;/h10H,4-8H2,1-3H3;1H
InChIKey
VVGYXNWIVQQULF-UHFFFAOYSA-N
Canonic Smiles
CCCN(C(=O)CNC)CCC.Cl
Isomeric Smiles
C(=O)(N(CCC)CCC)CNC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.2917323
LogD (pH = 7.4)
-0.74027085
Log P
0.6841751
Molar Refractivity
50.9388
Polarizability
20.040365
Polar Surface Area
32.34
Rotatable Bonds
6
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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