Molecule

ID:24014

General Information
Structure
Molecular Formula
C₁₀H₂₆Cl₃N₃
Molecular Mass
294.69254
Exact Mass
293.11923089
Charge
0
InChI
InChI=1S/C10H23N3.3ClH/c1-12(2)8-9-13(3)10-4-6-11-7-5-10;;;/h10-11H,4-9H2,1-3H3;3*1H
InChIKey
XOPAEEIXXVZJAE-UHFFFAOYSA-N
Canonic Smiles
CN(C1CCNCC1)CCN(C)C.Cl.Cl.Cl
Isomeric Smiles
C1(N(CCN(C)C)C)CCNCC1.Cl.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-6.6316733
LogD (pH = 7.4)
-4.554184
Log P
-0.14742783
Molar Refractivity
58.1636
Polarizability
23.024387
Polar Surface Area
18.51
Rotatable Bonds
4
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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