Molecule

ID:48968

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₃ClN₂O
Molecular Mass
246.77682
Exact Mass
246.14989105
Charge
0
InChI
InChI=1S/C12H22N2O.ClH/c1-10-5-2-3-8-14(10)12(15)11-6-4-7-13-9-11;/h10-11,13H,2-9H2,1H3;1H
InChIKey
CQMHEKYRJOVXSO-UHFFFAOYSA-N
Canonic Smiles
CC1CCCCN1C(=O)C1CCCNC1.Cl
Isomeric Smiles
C(=O)(N1C(C)CCCC1)C1CNCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.2425053
LogD (pH = 7.4)
-1.2240672
Log P
0.9434903
Molar Refractivity
61.0977
Polarizability
24.10781
Polar Surface Area
32.34
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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