Molecule

ID:20384

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆ClNO
Molecular Mass
261.74664
Exact Mass
261.09204182
Charge
0
InChI
InChI=1S/C15H16ClNO/c1-9-6-12(17)4-5-14(9)18-13-7-10(2)15(16)11(3)8-13/h4-8H,17H2,1-3H3
InChIKey
QKIYMWDUXIJARQ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)C)Oc1cc(C)c(c(c1)C)Cl
Isomeric Smiles
c1(c(cc(Oc2c(cc(N)cc2)C)cc1C)C)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.7508936
LogD (pH = 7.4)
4.7884154
Log P
4.788916
Molar Refractivity
76.9276
Polarizability
28.944902
Polar Surface Area
35.25
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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