Molecule

ID:113764

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉N₃
Molecular Mass
265.35286
Exact Mass
265.15789762
Charge
0
InChI
InChI=1S/C17H19N3/c1-13-15(16-4-2-3-5-17(16)20-13)8-11-19-12-14-6-9-18-10-7-14/h2-7,9-10,19-20H,8,11-12H2,1H3
InChIKey
ZVLMZODFDLCLLA-UHFFFAOYSA-N
Canonic Smiles
Cc1[nH]c2c(c1CCNCc1ccncc1)cccc2
Isomeric Smiles
[nH]1c(c(c2c1cccc2)CCNCc1ccncc1)C
Calculated Properties
JChem
Acid pKa
17.283382
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.5721399
LogD (pH = 7.4)
0.3700515
Log P
2.6253798
Molar Refractivity
82.7529
Polarizability
33.063602
Polar Surface Area
40.71
Rotatable Bonds
5
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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