Molecule

ID:38154

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃ClN₄O
Molecular Mass
252.70012
Exact Mass
252.07778874
Charge
0
InChI
InChI=1S/C11H12N4O.ClH/c1-2-9(13-5-1)11-14-10(15-16-11)8-3-6-12-7-4-8;/h3-4,6-7,9,13H,1-2,5H2;1H
InChIKey
TWZPMOFDPUZLFW-UHFFFAOYSA-N
Canonic Smiles
C1CNC(C1)c1onc(n1)c1ccncc1.Cl
Isomeric Smiles
o1c(C2CCCN2)nc(n1)c1ccncc1.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.6179503
LogD (pH = 7.4)
0.11680387
Log P
1.155405
Molar Refractivity
69.7896
Polarizability
22.984005
Polar Surface Area
63.84
Rotatable Bonds
2
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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