Molecule

ID:18718

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇Cl₂N₃
Molecular Mass
310.22158
Exact Mass
309.07995292
Charge
0
InChI
InChI=1S/C15H15N3.2ClH/c16-13-6-7-15-14(10-13)17-11-18(15)9-8-12-4-2-1-3-5-12;;/h1-7,10-11H,8-9,16H2;2*1H
InChIKey
OPNXPFVXRDLHJN-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)ncn2CCc1ccccc1.Cl.Cl
Isomeric Smiles
n1c2c(n(c1)CCc1ccccc1)ccc(c2)N.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7943059
LogD (pH = 7.4)
2.5099478
Log P
2.6673884
Molar Refractivity
73.9332
Polarizability
28.970987
Polar Surface Area
43.84
Rotatable Bonds
3
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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