Molecule

ID:62357

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₅Cl₂N₅O₂
Molecular Mass
390.308
Exact Mass
389.13853043
Charge
0
InChI
InChI=1S/C16H23N5O2.2ClH/c1-12-13(11-20-5-8-22-9-6-20)16-18-3-2-14(21(16)19-12)15-10-17-4-7-23-15;;/h2-3,15,17H,4-11H2,1H3;2*1H
InChIKey
ACEAXXQZWFIHTP-UHFFFAOYSA-N
Canonic Smiles
Cc1nn2c(c1CN1CCOCC1)nccc2C1CNCCO1.Cl.Cl
Isomeric Smiles
n12c(c(c(n1)C)CN1CCOCC1)nccc2C1OCCNC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
-3.1804826
LogD (pH = 7.4)
-0.7861986
Log P
-0.17314433
Molar Refractivity
97.8525
Polarizability
33.70768
Polar Surface Area
63.92
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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