Molecule

ID:55647

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉Cl₂N₃O
Molecular Mass
268.18336
Exact Mass
267.0905176
Charge
0
InChI
InChI=1S/C10H17N3O.2ClH/c1-13-5-4-12-10(13)8-11-7-9-3-2-6-14-9;;/h4-5,9,11H,2-3,6-8H2,1H3;2*1H
InChIKey
YKEZNEWPNNZYBW-UHFFFAOYSA-N
Canonic Smiles
Cn1ccnc1CNCC1CCCO1.Cl.Cl
Isomeric Smiles
c1(n(ccn1)C)CNCC1OCCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.8752161
LogD (pH = 7.4)
-0.2984259
Log P
0.12855616
Molar Refractivity
54.7392
Polarizability
21.440603
Polar Surface Area
39.08
Rotatable Bonds
4
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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