Molecule

ID:62038

General Information
Structure
Molecular Formula
C₁₁H₁₈Cl₂N₂
Molecular Mass
249.18002
Exact Mass
248.08470395
Charge
0
InChI
InChI=1S/C11H16N2.2ClH/c1-2-6-13-11(3-1)9-10-4-7-12-8-5-10;;/h1-3,6,10,12H,4-5,7-9H2;2*1H
InChIKey
VJRYOBIUFQEAHX-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)Cc1ccccn1.Cl.Cl
Isomeric Smiles
N1CCC(Cc2ncccc2)CC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.3646631
LogD (pH = 7.4)
-1.601423
Log P
1.1791229
Molar Refractivity
53.4993
Polarizability
21.220594
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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