Molecule

ID:48087

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄Cl₂N₂
Molecular Mass
303.27046
Exact Mass
302.13165414
Charge
0
InChI
InChI=1S/C15H22N2.2ClH/c1-2-7-15-13(5-1)8-11-17(15)12-9-14-6-3-4-10-16-14;;/h1-2,5,7,14,16H,3-4,6,8-12H2;2*1H
InChIKey
PGVPYHWZWVODOV-UHFFFAOYSA-N
Canonic Smiles
C1CCC(NC1)CCN1CCc2c1cccc2.Cl.Cl
Isomeric Smiles
N1(c2c(CC1)cccc2)CCC1NCCCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.5067342
LogD (pH = 7.4)
0.016550161
Log P
2.7268677
Molar Refractivity
73.1982
Polarizability
28.068768
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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