Molecule

ID:90401

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉ClN₂O
Molecular Mass
242.74506
Exact Mass
242.11859092
Charge
0
InChI
InChI=1S/C12H18N2O.ClH/c1-15-12-5-3-11(4-6-12)14-9-2-7-13-8-10-14;/h3-6,13H,2,7-10H2,1H3;1H
InChIKey
BMKZWZPDNPXQRZ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)N1CCNCCC1.Cl
Isomeric Smiles
N1(c2ccc(cc2)OC)CCCNCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.7505822
LogD (pH = 7.4)
-0.80972046
Log P
1.4476498
Molar Refractivity
62.5706
Polarizability
23.99556
Polar Surface Area
24.5
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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