Molecule

ID:14133

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆Cl₃N₃O
Molecular Mass
300.61254
Exact Mass
299.03589519
Charge
0
InChI
InChI=1S/C10H13N3O.3ClH/c14-10(9-1-3-11-4-2-9)13-7-5-12-6-8-13;;;/h1-4,12H,5-8H2;3*1H
InChIKey
ZJXZTYXVNXVWJK-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccncc1)N1CCNCC1.Cl.Cl.Cl
Isomeric Smiles
c1(C(=O)N2CCNCC2)ccncc1.Cl.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.7592158
LogD (pH = 7.4)
-1.0425196
Log P
-0.48236254
Molar Refractivity
53.5283
Polarizability
20.42912
Polar Surface Area
45.23
Rotatable Bonds
1
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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