Molecule

ID:46693

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉ClN₂O
Molecular Mass
242.74506
Exact Mass
242.11859092
Charge
0
InChI
InChI=1S/C12H18N2O.ClH/c1-2-8-14-11(4-1)6-9-15-12-5-3-7-13-10-12;/h3,5,7,10-11,14H,1-2,4,6,8-9H2;1H
InChIKey
IKOSQZNPSFEXSC-UHFFFAOYSA-N
Canonic Smiles
C1CCC(NC1)CCOc1cccnc1.Cl
Isomeric Smiles
N1C(CCOc2cnccc2)CCCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.0917962
LogD (pH = 7.4)
-1.4300126
Log P
1.2035917
Molar Refractivity
59.7663
Polarizability
23.798243
Polar Surface Area
34.15
Rotatable Bonds
4
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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