Molecule

ID:33175

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇ClN₂O
Molecular Mass
240.72918
Exact Mass
240.10294085
Charge
0
InChI
InChI=1S/C12H16N2O.ClH/c1-12(2,3)8-4-5-10-9(6-8)14-11(7-13)15-10;/h4-6H,7,13H2,1-3H3;1H
InChIKey
LDYXJXZCEGYJPG-UHFFFAOYSA-N
Canonic Smiles
NCc1oc2c(n1)cc(cc2)C(C)(C)C.Cl
Isomeric Smiles
n1c2c(oc1CN)ccc(c2)C(C)(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.29198873
LogD (pH = 7.4)
1.8151294
Log P
2.0638566
Molar Refractivity
59.1894
Polarizability
24.506754
Polar Surface Area
52.05
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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