Molecule

ID:55676

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₉Cl₂N₃
Molecular Mass
334.32756
Exact Mass
333.1738533
Charge
0
InChI
InChI=1S/C16H27N3.2ClH/c1-18(2)13-10-17-16-8-11-19(12-9-16)14-15-6-4-3-5-7-15;;/h3-7,16-17H,8-14H2,1-2H3;2*1H
InChIKey
NLNMOZUNMRUVEX-UHFFFAOYSA-N
Canonic Smiles
CN(CCNC1CCN(CC1)Cc1ccccc1)C.Cl.Cl
Isomeric Smiles
N1(Cc2ccccc2)CCC(CC1)NCCN(C)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.621242
LogD (pH = 7.4)
-1.6583737
Log P
1.5770453
Molar Refractivity
82.7762
Polarizability
32.657967
Polar Surface Area
18.51
Rotatable Bonds
6
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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