Molecule

ID:48133

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₁Cl₂N₃
Molecular Mass
360.36484
Exact Mass
359.18950337
Charge
0
InChI
InChI=1S/C18H29N3.2ClH/c1-2-4-18(5-3-1)16-21-14-12-20(13-15-21)11-8-17-6-9-19-10-7-17;;/h1-5,17,19H,6-16H2;2*1H
InChIKey
YHNFUFOVJIALDY-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)CCN1CCN(CC1)Cc1ccccc1.Cl.Cl
Isomeric Smiles
N1(Cc2ccccc2)CCN(CCC2CCNCC2)CC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.1935678
LogD (pH = 7.4)
-2.1342893
Log P
2.232736
Molar Refractivity
90.3032
Polarizability
35.60941
Polar Surface Area
18.51
Rotatable Bonds
5
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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