Molecule

ID:15014

General Information
Structure
MolImage
Molecular Formula
C₉H₁₅ClN₂
Molecular Mass
186.6818
Exact Mass
186.09237617
Charge
0
InChI
InChI=1S/C9H14N2.ClH/c1-2-3-8-4-6-9(11-10)7-5-8;/h4-7,11H,2-3,10H2,1H3;1H
InChIKey
DMEKVEDDLQRPOF-UHFFFAOYSA-N
Canonic Smiles
CCCc1ccc(cc1)NN.Cl
Isomeric Smiles
c1c(ccc(c1)NN)CCC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.5250328
LogD (pH = 7.4)
2.7633772
Log P
2.7674472
Molar Refractivity
50.0079
Polarizability
18.363329
Polar Surface Area
38.05
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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