Molecule

ID:6400

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉N₃
Molecular Mass
265.35286
Exact Mass
265.15789762
Charge
0
InChI
InChI=1S/C17H19N3/c1-3-7-15(8-4-1)13-20(14-17-18-11-12-19-17)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,18,19)
InChIKey
REYFJDPCWQRWAA-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)CN(c1ccccc1)CC1=NCCN1
Isomeric Smiles
N(CC1=NCCN1)(Cc1ccccc1)c1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
1.13
LogD (pH = 5.5)
0.48
Log P
2.88
Rotatable Bonds
5
H Donor
1
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
9.24
Polar Surface Area
27.63
Polarizability
30.09
Molar Refractivity
82.89
LOG S
-3.26
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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