Molecule

ID:23989

General Information
Structure
MolImage
Molecular Formula
C₈H₁₃ClN₂
Molecular Mass
172.65522
Exact Mass
172.07672611
Charge
0
InChI
InChI=1S/C8H12N2.ClH/c9-10-7-6-8-4-2-1-3-5-8;/h1-5,10H,6-7,9H2;1H
InChIKey
YXTQJIOOEPPOBO-UHFFFAOYSA-N
Canonic Smiles
NNCCc1ccccc1.Cl
Isomeric Smiles
c1(ccccc1)CCNN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.87542254
LogD (pH = 7.4)
1.1969012
Log P
1.2030201
Molar Refractivity
54.2633
Polarizability
16.82067
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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