Molecule

ID:62399

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₃ClN₂O
Molecular Mass
246.77682
Exact Mass
246.14989105
Charge
0
InChI
InChI=1S/C12H22N2O.ClH/c1-12(6-8-13-9-7-12)11(15)14-10-4-2-3-5-10;/h10,13H,2-9H2,1H3,(H,14,15);1H
InChIKey
UIMHHCLOENSLRQ-UHFFFAOYSA-N
Canonic Smiles
O=C(C1(C)CCNCC1)NC1CCCC1.Cl
Isomeric Smiles
C(=O)(NC1CCCC1)C1(CCNCC1)C.Cl
Calculated Properties
JChem
Acid pKa
16.043123
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.0172422
LogD (pH = 7.4)
-1.4126441
Log P
1.2076818
Molar Refractivity
60.7084
Polarizability
24.10781
Polar Surface Area
41.13
Rotatable Bonds
2
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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