Molecule

ID:48190

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₉Cl₂N₃
Molecular Mass
346.33826
Exact Mass
345.1738533
Charge
0
InChI
InChI=1S/C17H27N3.2ClH/c1-2-6-16(7-3-1)14-19-10-12-20(13-11-19)15-17-8-4-5-9-18-17;;/h1-3,6-7,17-18H,4-5,8-15H2;2*1H
InChIKey
YOPKBMCTJKGZCY-UHFFFAOYSA-N
Canonic Smiles
C1CCC(NC1)CN1CCN(CC1)Cc1ccccc1.Cl.Cl
Isomeric Smiles
N1(Cc2ccccc2)CCN(CC2NCCCC2)CC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.4367292
LogD (pH = 7.4)
-0.9572504
Log P
2.307492
Molar Refractivity
85.1874
Polarizability
33.76265
Polar Surface Area
18.51
Rotatable Bonds
4
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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