Molecule

ID:90050

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄ClN₅O
Molecular Mass
243.69336
Exact Mass
243.08868777
Charge
0
InChI
InChI=1S/C9H13N5O.ClH/c1-15-7-5-3-2-4-6(7)13-9(12)14-8(10)11;/h2-5H,1H3,(H6,10,11,12,13,14);1H
InChIKey
INZKUCPKDBRDSG-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1NC(=N)NC(=N)N.Cl
Isomeric Smiles
N(c1ccccc1OC)C(=N)NC(=N)N.Cl
Calculated Properties
JChem
H Acceptors
6
H Donor
5
LogD (pH = 5.5)
-4.0201416
LogD (pH = 7.4)
-2.4321034
Log P
0.56839186
Molar Refractivity
79.3696
Polarizability
21.408863
Polar Surface Area
107.01
Rotatable Bonds
2
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
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References
Bioactivity
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