Molecule

ID:48940

General Information
Structure
Molecular Formula
C₁₂H₂₃ClN₂O
Molecular Mass
246.77682
Exact Mass
246.14989105
Charge
0
InChI
InChI=1S/C12H22N2O.ClH/c1-10-5-4-8-14(9-10)12(15)11-6-2-3-7-13-11;/h10-11,13H,2-9H2,1H3;1H
InChIKey
BHBCNWBKQABVBP-UHFFFAOYSA-N
Canonic Smiles
CC1CCCN(C1)C(=O)C1CCCCN1.Cl
Isomeric Smiles
N1(C(=O)C2NCCCC2)CC(CCC1)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.8068682
LogD (pH = 7.4)
-0.29569486
Log P
1.2031758
Molar Refractivity
60.8945
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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