Molecule

ID:55797

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀ClN₃O₂
Molecular Mass
309.7912
Exact Mass
309.12440458
Charge
0
InChI
InChI=1S/C15H19N3O2.ClH/c1-16-8-7-14-17-15(20-18-14)10-19-13-6-5-11-3-2-4-12(11)9-13;/h5-6,9,16H,2-4,7-8,10H2,1H3;1H
InChIKey
QAYSXKJOPIFBCO-UHFFFAOYSA-N
Canonic Smiles
CNCCc1noc(n1)COc1ccc2c(c1)CCC2.Cl
Isomeric Smiles
n1oc(nc1CCNC)COc1cc2c(cc1)CCC2.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.62881255
LogD (pH = 7.4)
0.65408796
Log P
2.6243858
Molar Refractivity
77.4162
Polarizability
29.163462
Polar Surface Area
60.18
Rotatable Bonds
6
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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