Molecule

ID:21091

General Information
Structure
Molecular Formula
C₁₄H₁₆ClNO
Molecular Mass
249.73594
Exact Mass
249.09204182
Charge
0
InChI
InChI=1S/C14H15NO.ClH/c1-2-4-12-9-13(6-5-11(12)3-1)16-14-7-8-15-10-14;/h1-6,9,14-15H,7-8,10H2;1H
InChIKey
QJVSPNKJVASFJC-UHFFFAOYSA-N
Canonic Smiles
C1NCC(C1)Oc1ccc2c(c1)cccc2.Cl
Isomeric Smiles
N1CCC(Oc2ccc3c(c2)cccc3)C1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.84140766
LogD (pH = 7.4)
-0.35096654
Log P
2.3888497
Molar Refractivity
64.2624
Polarizability
26.766663
Polar Surface Area
21.26
Rotatable Bonds
2
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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