Molecule

ID:72051

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂ClNO
Molecular Mass
197.66138
Exact Mass
197.06074169
Charge
0
InChI
InChI=1S/C10H11NO.ClH/c1-11-6-8-7-12-10-5-3-2-4-9(8)10;/h2-5,7,11H,6H2,1H3;1H
InChIKey
MVLPHXNMXUVAPE-UHFFFAOYSA-N
Canonic Smiles
CNCc1coc2c1cccc2.Cl
Isomeric Smiles
c1(coc2c1cccc2)CNC.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.4660325
LogD (pH = 7.4)
-0.2944381
Log P
1.690718
Molar Refractivity
48.1471
Polarizability
19.970873
Polar Surface Area
25.17
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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