Molecule

ID:62217

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉Cl₂N₅O
Molecular Mass
308.20746
Exact Mass
307.09666561
Charge
0
InChI
InChI=1S/C11H17N5O.2ClH/c1-8(17)15-5-6-16-10(7-15)13-14-11(16)9-3-2-4-12-9;;/h9,12H,2-7H2,1H3;2*1H
InChIKey
SYHVPLMZGIHDAQ-UHFFFAOYSA-N
Canonic Smiles
CC(=O)N1CCn2c(C1)nnc2C1CCCN1.Cl.Cl
Isomeric Smiles
n12c(nnc1CN(C(=O)C)CC2)C1NCCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-4.429454
LogD (pH = 7.4)
-2.7888312
Log P
-1.5627981
Molar Refractivity
64.1589
Polarizability
24.143587
Polar Surface Area
63.05
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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