Molecule

ID:14387

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₃ClN₂O
Molecular Mass
246.77682
Exact Mass
246.14989105
Charge
0
InChI
InChI=1S/C12H22N2O.ClH/c15-12(14-9-7-13-8-10-14)6-5-11-3-1-2-4-11;/h11,13H,1-10H2;1H
InChIKey
MYOLHVPKLYCCOT-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCNCC1)CCC1CCCC1.Cl
Isomeric Smiles
N1(C(=O)CCC2CCCC2)CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0916562
LogD (pH = 7.4)
0.6223977
Log P
1.1832391
Molar Refractivity
60.792
Polarizability
24.10781
Polar Surface Area
32.34
Rotatable Bonds
3
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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