Molecule

ID:84737

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₆N₄
Molecular Mass
310.43654
Exact Mass
310.21574685
Charge
0
InChI
InChI=1S/C19H26N4/c1-17(21-19-9-5-6-10-20-19)15-22-11-13-23(14-12-22)16-18-7-3-2-4-8-18/h2-10,17H,11-16H2,1H3,(H,20,21)
InChIKey
WENQHCCGSKCGGB-UHFFFAOYSA-N
Canonic Smiles
CC(Nc1ccccn1)CN1CCN(CC1)Cc1ccccc1
Isomeric Smiles
N1(Cc2ccccc2)CCN(CC1)CC(Nc1ncccc1)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.287954
LogD (pH = 7.4)
1.8645257
Log P
2.8296213
Molar Refractivity
97.509
Polarizability
37.262527
Polar Surface Area
31.4
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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