Molecule

ID:20344

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆ClNO
Molecular Mass
249.73594
Exact Mass
249.09204182
Charge
0
InChI
InChI=1S/C14H15NO.ClH/c1-11-9-13(15)7-8-14(11)16-10-12-5-3-2-4-6-12;/h2-9H,10,15H2,1H3;1H
InChIKey
FSNRVDJNPWPWGQ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)C)OCc1ccccc1.Cl
Isomeric Smiles
c1(c(OCc2ccccc2)ccc(c1)N)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.015793
LogD (pH = 7.4)
3.2211702
Log P
3.224543
Molar Refractivity
66.8754
Polarizability
25.372211
Polar Surface Area
35.25
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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