Molecule

ID:10452

General Information
Structure
MolImage
Molecular Formula
C₈H₁₃ClN₂
Molecular Mass
172.65522
Exact Mass
172.07672611
Charge
0
InChI
InChI=1S/C8H12N2.ClH/c1-2-7-3-5-8(10-9)6-4-7;/h3-6,10H,2,9H2,1H3;1H
InChIKey
YGFUKCJADFMHGW-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(cc1)NN.Cl
Isomeric Smiles
c1c(ccc(c1)NN)CC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.0798564
LogD (pH = 7.4)
2.3187954
Log P
2.3228786
Molar Refractivity
45.4069
Polarizability
16.516926
Polar Surface Area
38.05
Rotatable Bonds
2
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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