Molecule

ID:23978

General Information
Structure
Molecular Formula
C₁₅H₁₇Cl₂N₃
Molecular Mass
310.22158
Exact Mass
309.07995292
Charge
0
InChI
InChI=1S/C15H15N3.2ClH/c1-11-17-14-9-13(16)7-8-15(14)18(11)10-12-5-3-2-4-6-12;;/h2-9H,10,16H2,1H3;2*1H
InChIKey
ARLOJMPFMKIADO-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)nc(n2Cc1ccccc1)C.Cl.Cl
Isomeric Smiles
c12n(c(nc1cc(cc2)N)C)Cc1ccccc1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1466775
LogD (pH = 7.4)
2.0958686
Log P
2.501792
Molar Refractivity
73.6189
Polarizability
28.968319
Polar Surface Area
43.84
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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