Molecule

ID:21472

General Information
Structure
MolImage
Molecular Formula
C₉H₁₅ClN₂
Molecular Mass
186.6818
Exact Mass
186.09237617
Charge
0
InChI
InChI=1S/C9H14N2.ClH/c1-6-4-7(2)9(11-10)8(3)5-6;/h4-5,11H,10H2,1-3H3;1H
InChIKey
XFGPCULNJGZRTH-UHFFFAOYSA-N
Canonic Smiles
NNc1c(C)cc(cc1C)C.Cl
Isomeric Smiles
c1c(cc(c(c1C)NN)C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.64444
LogD (pH = 7.4)
2.900675
Log P
2.9051526
Molar Refractivity
50.8883
Polarizability
18.204092
Polar Surface Area
38.05
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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