Molecule

ID:47998

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₂Cl₂N₂
Molecular Mass
277.23318
Exact Mass
276.11600407
Charge
0
InChI
InChI=1S/C13H20N2.2ClH/c1-15(13-8-5-9-14-10-13)11-12-6-3-2-4-7-12;;/h2-4,6-7,13-14H,5,8-11H2,1H3;2*1H
InChIKey
RVECGOKOHDSVFK-UHFFFAOYSA-N
Canonic Smiles
CN(C1CCCNC1)Cc1ccccc1.Cl.Cl
Isomeric Smiles
N(Cc1ccccc1)(C1CNCCC1)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.4755998
LogD (pH = 7.4)
-0.5331372
Log P
2.0158038
Molar Refractivity
64.5363
Polarizability
25.600323
Polar Surface Area
15.27
Rotatable Bonds
3
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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