Molecule

ID:76079

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆Cl₂N₂
Molecular Mass
235.15344
Exact Mass
234.06905388
Charge
0
InChI
InChI=1S/C10H14N2.2ClH/c1-3-9(8-11-5-1)7-10-4-2-6-12-10;;/h1,3,5,8,10,12H,2,4,6-7H2;2*1H
InChIKey
SNVVKNGYBOQTCB-UHFFFAOYSA-N
Canonic Smiles
C1CNC(C1)Cc1cccnc1.Cl.Cl
Isomeric Smiles
N1C(Cc2cnccc2)CCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.175829
LogD (pH = 7.4)
-1.9916632
Log P
1.068148
Molar Refractivity
49.1153
Polarizability
19.37324
Polar Surface Area
24.92
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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