Molecule

ID:125911

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉N₃
Molecular Mass
253.34216
Exact Mass
253.15789762
Charge
0
InChI
InChI=1S/C16H19N3/c1-17-9-10-19-14-6-3-2-5-13(14)11-18-8-4-7-15(18)16(19)12-17/h2-8,16H,9-12H2,1H3
InChIKey
MNHDDERDSNZCCK-UHFFFAOYSA-N
Canonic Smiles
CN1CCN2C(C1)c1cccn1Cc1c2cccc1
Isomeric Smiles
c12c(N3C(c4cccn4C1)CN(CC3)C)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2555318
LogD (pH = 7.4)
2.563448
Log P
2.687438
Molar Refractivity
78.9071
Polarizability
29.82604
Polar Surface Area
11.41
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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