Molecule

ID:48802

General Information
Structure
MolImage
Molecular Formula
C₉H₂₁ClN₂O
Molecular Mass
208.72884
Exact Mass
208.13424098
Charge
0
InChI
InChI=1S/C9H20N2O.ClH/c1-3-7-11(8-4-2)9(12)5-6-10;/h3-8,10H2,1-2H3;1H
InChIKey
FHZBSLXZZBTYDY-UHFFFAOYSA-N
Canonic Smiles
CCCN(C(=O)CCN)CCC.Cl
Isomeric Smiles
C(=O)(N(CCC)CCC)CCN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.4454443
LogD (pH = 7.4)
-1.2227069
Log P
0.4886074
Molar Refractivity
50.8636
Polarizability
20.040365
Polar Surface Area
46.33
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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