Molecule

ID:91217

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅ClN₂O
Molecular Mass
250.724
Exact Mass
250.08729079
Charge
0
InChI
InChI=1S/C13H14N2O.ClH/c14-15-12-7-4-8-13(9-12)16-10-11-5-2-1-3-6-11;/h1-9,15H,10,14H2;1H
InChIKey
MMMGCMOISVZVKZ-UHFFFAOYSA-N
Canonic Smiles
NNc1cccc(c1)OCc1ccccc1.Cl
Isomeric Smiles
N(c1cc(ccc1)OCc1ccccc1)N.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.733967
LogD (pH = 7.4)
2.9285479
Log P
2.9316902
Molar Refractivity
66.8405
Polarizability
25.018675
Polar Surface Area
47.28
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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