Molecule

ID:103927

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₅ClN₄O₂
Molecular Mass
340.8483
Exact Mass
340.16660374
Charge
0
InChI
InChI=1S/C16H24N4O2.ClH/c1-5-8-9-17-14-12-10-18-20(6-2)15(12)19-11(4)13(14)16(21)22-7-3;/h10H,5-9H2,1-4H3,(H,17,19);1H
InChIKey
TUIXDPUEMQXVHO-UHFFFAOYSA-N
Canonic Smiles
CCCCNc1c(C(=O)OCC)c(C)nc2c1cnn2CC.Cl
Isomeric Smiles
Cl.CCCCNc1c(c(C)nc2c1cnn2CC)C(=O)OCC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.3651068
LogD (pH = 7.4)
2.8524797
Log P
2.8649135
Molar Refractivity
99.2662
Polarizability
33.22078
Polar Surface Area
69.04
Rotatable Bonds
8
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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