Molecule

ID:51094

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃ClN₂O
Molecular Mass
224.68672
Exact Mass
224.07164073
Charge
0
InChI
InChI=1S/C11H12N2O.ClH/c1-12-8-10-7-11(14-13-10)9-5-3-2-4-6-9;/h2-7,12H,8H2,1H3;1H
InChIKey
IQAKKFFFHDBEQB-UHFFFAOYSA-N
Canonic Smiles
CNCc1noc(c1)c1ccccc1.Cl
Isomeric Smiles
c1(cc(no1)CNC)c1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0211233
LogD (pH = 7.4)
0.71021277
Log P
1.5448384
Molar Refractivity
55.2395
Polarizability
22.507723
Polar Surface Area
38.06
Rotatable Bonds
3
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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