Molecule

ID:84786

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃ClN₂O
Molecular Mass
260.71882
Exact Mass
260.07164073
Charge
0
InChI
InChI=1S/C14H13ClN2O/c1-9-5-6-12(11-4-2-3-10(9)11)18-14-8-7-13(15)16-17-14/h5-8H,2-4H2,1H3
InChIKey
RSMSJGIXSYWGDC-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(nn1)Oc1ccc(c2c1CCC2)C
Isomeric Smiles
n1c(ccc(n1)Cl)Oc1c2c(c(cc1)C)CCC2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.215877
LogD (pH = 7.4)
4.215877
Log P
4.215877
Molar Refractivity
74.1072
Polarizability
27.227278
Polar Surface Area
35.01
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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