Molecule

ID:24050

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀Cl₃N₃
Molecular Mass
300.6556
Exact Mass
299.0722807
Charge
0
InChI
InChI=1S/C11H17N3.3ClH/c12-11-3-6-14(7-4-11)9-10-2-1-5-13-8-10;;;/h1-2,5,8,11H,3-4,6-7,9,12H2;3*1H
InChIKey
IFMYFXJJIIGOIS-UHFFFAOYSA-N
Canonic Smiles
NC1CCN(CC1)Cc1cccnc1.Cl.Cl.Cl
Isomeric Smiles
N1(Cc2cccnc2)CCC(CC1)N.Cl.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-5.0002866
LogD (pH = 7.4)
-3.0950918
Log P
-0.09185205
Molar Refractivity
57.8256
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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