Molecule

ID:38011

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅ClN₄
Molecular Mass
274.7487
Exact Mass
274.09852418
Charge
0
InChI
InChI=1S/C14H14N4.ClH/c1-10-7-14-16-6-5-13(18(14)17-10)12-4-2-3-11(8-12)9-15;/h2-8H,9,15H2,1H3;1H
InChIKey
SVYPZQDCUNBXPQ-UHFFFAOYSA-N
Canonic Smiles
NCc1cccc(c1)c1ccnc2n1nc(c2)C.Cl
Isomeric Smiles
n12c(cc(n2)C)nccc1c1cc(CN)ccc1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.5014677
LogD (pH = 7.4)
-0.49399808
Log P
1.4773377
Molar Refractivity
81.8522
Polarizability
28.505625
Polar Surface Area
56.21
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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