Molecule

ID:37129

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀Cl₃N₃
Molecular Mass
300.6556
Exact Mass
299.0722807
Charge
0
InChI
InChI=1S/C11H17N3.3ClH/c12-11-4-2-6-14(9-11)8-10-3-1-5-13-7-10;;;/h1,3,5,7,11H,2,4,6,8-9,12H2;3*1H
InChIKey
WETATJFYJAWXIP-UHFFFAOYSA-N
Canonic Smiles
NC1CCCN(C1)Cc1cccnc1.Cl.Cl.Cl
Isomeric Smiles
N1(Cc2cnccc2)CC(N)CCC1.Cl.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.5169652
LogD (pH = 7.4)
-1.8577497
Log P
0.36555088
Molar Refractivity
57.6048
Polarizability
22.817152
Polar Surface Area
42.15
Rotatable Bonds
2
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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