Molecule

ID:14131

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉ClN₂O
Molecular Mass
242.74506
Exact Mass
242.11859092
Charge
0
InChI
InChI=1S/C12H18N2O.ClH/c1-15-12-4-2-11(3-5-12)10-14-8-6-13-7-9-14;/h2-5,13H,6-10H2,1H3;1H
InChIKey
ZABGCTWCNIKLHR-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)CN1CCNCC1.Cl
Isomeric Smiles
C1NCCN(C1)Cc1ccc(cc1)OC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.9574746
LogD (pH = 7.4)
-0.6244322
Log P
1.221043
Molar Refractivity
61.8193
Polarizability
24.388472
Polar Surface Area
24.5
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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