Molecule

ID:37142

General Information
Structure
Molecular Formula
C₁₀H₂₀Cl₃N₅
Molecular Mass
316.6583
Exact Mass
315.07842871
Charge
0
InChI
InChI=1S/C10H17N5.3ClH/c11-2-5-14-6-8-15(9-7-14)10-12-3-1-4-13-10;;;/h1,3-4H,2,5-9,11H2;3*1H
InChIKey
HPARFPPMVKCZBQ-UHFFFAOYSA-N
Canonic Smiles
NCCN1CCN(CC1)c1ncccn1.Cl.Cl.Cl
Isomeric Smiles
c1(N2CCN(CC2)CCN)ncccn1.Cl.Cl.Cl
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-3.242428
LogD (pH = 7.4)
-2.0574467
Log P
-0.11329889
Molar Refractivity
61.0968
Polarizability
23.050251
Polar Surface Area
58.28
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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