Molecule

ID:121729

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇ClN₂O
Molecular Mass
240.72918
Exact Mass
240.10294085
Charge
0
InChI
InChI=1S/C12H17ClN2O/c13-11-1-3-12(4-2-11)16-10-9-15-7-5-14-6-8-15/h1-4,14H,5-10H2
InChIKey
DTOPBQLBZBMIFT-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)OCCN1CCNCC1
Isomeric Smiles
N1(CCOc2ccc(Cl)cc2)CCNCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.2595172
LogD (pH = 7.4)
0.067850016
Log P
1.9023354
Molar Refractivity
66.1005
Polarizability
26.232845
Polar Surface Area
24.5
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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