Molecule

ID:70010

General Information
Structure
MolImage
Molecular Formula
C₈H₁₃ClN₂
Molecular Mass
172.65522
Exact Mass
172.07672611
Charge
0
InChI
InChI=1S/C8H12N2.ClH/c1-6-3-4-8(10-9)5-7(6)2;/h3-5,10H,9H2,1-2H3;1H
InChIKey
YYMIOVAEQIEPET-UHFFFAOYSA-N
Canonic Smiles
NNc1ccc(c(c1)C)C.Cl
Isomeric Smiles
N(N)c1cc(c(cc1)C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.1290133
LogD (pH = 7.4)
2.387208
Log P
2.3917313
Molar Refractivity
45.8471
Polarizability
16.437426
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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