Molecule

ID:21089

General Information
Structure
Molecular Formula
C₁₄H₁₆ClNO
Molecular Mass
249.73594
Exact Mass
249.09204182
Charge
0
InChI
InChI=1S/C14H15NO.ClH/c1-2-6-13-11(4-1)5-3-7-14(13)16-12-8-9-15-10-12;/h1-7,12,15H,8-10H2;1H
InChIKey
AWZNCWLOBNAZQU-UHFFFAOYSA-N
Canonic Smiles
C1NCC(C1)Oc1cccc2c1cccc2.Cl
Isomeric Smiles
N1CCC(Oc2cccc3c2cccc3)C1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.84111863
LogD (pH = 7.4)
-0.34362242
Log P
2.3888497
Molar Refractivity
64.2624
Polarizability
26.770676
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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