Molecule

ID:47976

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄Cl₂N₂
Molecular Mass
303.27046
Exact Mass
302.13165414
Charge
0
InChI
InChI=1S/C15H22N2.2ClH/c1-2-6-15-14(4-1)5-3-11-17(15)12-13-7-9-16-10-8-13;;/h1-2,4,6,13,16H,3,5,7-12H2;2*1H
InChIKey
ZTVBMQCROILJKI-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)CN1CCCc2c1cccc2.Cl.Cl
Isomeric Smiles
N1(c2c(CCC1)cccc2)CC1CCNCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0105426
LogD (pH = 7.4)
-0.112389475
Log P
2.6701057
Molar Refractivity
73.3716
Polarizability
28.069557
Polar Surface Area
15.27
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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