Molecule

ID:76708

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆Cl₂N₂
Molecular Mass
235.15344
Exact Mass
234.06905388
Charge
0
InChI
InChI=1S/C10H14N2.2ClH/c11-7-10-9-4-2-1-3-8(9)5-6-12-10;;/h1-4,10,12H,5-7,11H2;2*1H
InChIKey
IYQJSFFKBVSPBX-UHFFFAOYSA-N
Canonic Smiles
NCC1NCCc2c1cccc2.Cl.Cl
Isomeric Smiles
N1C(c2c(cccc2)CC1)CN.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.2925873
LogD (pH = 7.4)
-1.0780697
Log P
0.8342664
Molar Refractivity
50.2356
Polarizability
19.97585
Polar Surface Area
38.05
Rotatable Bonds
1
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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