Molecule

ID:46698

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇ClN₂O
Molecular Mass
264.75058
Exact Mass
264.10294085
Charge
0
InChI
InChI=1S/C14H16N2O.ClH/c1-3-12-4-2-7-16-14(12)13(5-1)17-10-11-6-8-15-9-11;/h1-5,7,11,15H,6,8-10H2;1H
InChIKey
HHWZWYUTLOMSHD-UHFFFAOYSA-N
Canonic Smiles
C1NCC(C1)COc1cccc2c1nccc2.Cl
Isomeric Smiles
c12ncccc2cccc1OCC1CNCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.5659624
LogD (pH = 7.4)
-1.406399
Log P
1.6745762
Molar Refractivity
66.7171
Polarizability
27.682404
Polar Surface Area
34.15
Rotatable Bonds
3
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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