Molecule

ID:69450

General Information
Structure
MolImage
Molecular Formula
C₈H₁₃ClN₂
Molecular Mass
172.65522
Exact Mass
172.07672611
Charge
0
InChI
InChI=1S/C8H12N2.ClH/c1-2-7-5-3-4-6-8(7)10-9;/h3-6,10H,2,9H2,1H3;1H
InChIKey
HBHPTOKYVGZBAJ-UHFFFAOYSA-N
Canonic Smiles
NNc1ccccc1CC.Cl
Isomeric Smiles
N(N)c1c(cccc1)CC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.0890806
LogD (pH = 7.4)
2.3189948
Log P
2.3228786
Molar Refractivity
45.4069
Polarizability
16.517996
Polar Surface Area
38.05
Rotatable Bonds
2
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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