Molecule

ID:13396

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉N₃
Molecular Mass
229.32076
Exact Mass
229.15789762
Charge
0
InChI
InChI=1S/C14H19N3/c1-13-3-5-14(6-4-13)11-15-7-2-9-17-10-8-16-12-17/h3-6,8,10,12,15H,2,7,9,11H2,1H3
InChIKey
MFYSUMVTHDCUFZ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)CNCCCn1cncc1
Isomeric Smiles
c1c(ccc(c1)CNCCCn1ccnc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.7287399
LogD (pH = 7.4)
-0.4246671
Log P
2.0119026
Molar Refractivity
71.1531
Polarizability
27.33607
Polar Surface Area
29.85
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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