Molecule

ID:48144

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄Cl₂N₂
Molecular Mass
303.27046
Exact Mass
302.13165414
Charge
0
InChI
InChI=1S/C15H22N2.2ClH/c1-2-4-15-14(3-1)8-12-17(15)11-7-13-5-9-16-10-6-13;;/h1-4,13,16H,5-12H2;2*1H
InChIKey
XRVBULBUQCBTNT-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)CCN1CCc2c1cccc2.Cl.Cl
Isomeric Smiles
N1(c2c(CC1)cccc2)CCC1CCNCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.7130037
LogD (pH = 7.4)
-0.18408543
Log P
2.592152
Molar Refractivity
73.4486
Polarizability
28.06877
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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