Molecule

ID:70601

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁ClN₂O
Molecular Mass
174.62804
Exact Mass
174.05599066
Charge
0
InChI
InChI=1S/C7H10N2O.ClH/c1-5-3-6(8)4-9-7(5)10-2;/h3-4H,8H2,1-2H3;1H
InChIKey
QYRXTCKKJDXJBI-UHFFFAOYSA-N
Canonic Smiles
COc1ncc(cc1C)N.Cl
Isomeric Smiles
c1c(cc(c(n1)OC)C)N.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.8644803
LogD (pH = 7.4)
0.87669694
Log P
0.8768551
Molar Refractivity
40.4194
Polarizability
14.857481
Polar Surface Area
48.14
Rotatable Bonds
1
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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