Molecule

ID:55467

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇Cl₂N₃
Molecular Mass
262.17878
Exact Mass
261.07995292
Charge
0
InChI
InChI=1S/C11H15N3.2ClH/c1-2-9-4-6-14-8-10(3-5-12)13-11(14)7-9;;/h4,6-8H,2-3,5,12H2,1H3;2*1H
InChIKey
SDOYRUKRPCHFHT-UHFFFAOYSA-N
Canonic Smiles
NCCc1cn2c(n1)cc(cc2)CC.Cl.Cl
Isomeric Smiles
c1(ccn2c(c1)nc(c2)CCN)CC.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.3660324
LogD (pH = 7.4)
-0.97018564
Log P
1.1617925
Molar Refractivity
58.2292
Polarizability
22.031418
Polar Surface Area
43.32
Rotatable Bonds
3
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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