Molecule

ID:14965

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₀Cl₂N₂O₂
Molecular Mass
343.2482
Exact Mass
342.09018325
Charge
0
InChI
InChI=1S/C16H18N2O2.2ClH/c1-19-14-9-12-5-8-18-16(11-3-6-17-7-4-11)13(12)10-15(14)20-2;;/h3-4,6-7,9-10,16,18H,5,8H2,1-2H3;2*1H
InChIKey
PYZJOSDWHSYBKU-UHFFFAOYSA-N
Canonic Smiles
COc1cc2c(cc1OC)CCNC2c1ccncc1.Cl.Cl
Isomeric Smiles
c12C(c3ccncc3)NCCc1cc(c(c2)OC)OC.Cl.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.75857216
LogD (pH = 7.4)
0.9721196
Log P
1.8227084
Molar Refractivity
77.6679
Polarizability
30.294758
Polar Surface Area
43.38
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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