Molecule

ID:15549

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄Cl₂N₂
Molecular Mass
209.11616
Exact Mass
208.05340382
Charge
0
InChI
InChI=1S/C8H12N2.2ClH/c1-7-2-4-8(5-3-7)6-10-9;;/h2-5,10H,6,9H2,1H3;2*1H
InChIKey
LASAOSVLPBEFEB-UHFFFAOYSA-N
Canonic Smiles
NNCc1ccc(cc1)C.Cl.Cl
Isomeric Smiles
c1cc(ccc1C)CNN.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.2052066
LogD (pH = 7.4)
1.4241337
Log P
1.4277803
Molar Refractivity
54.5495
Polarizability
16.817343
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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