Molecule

ID:92871

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃N₃
Molecular Mass
233.35252
Exact Mass
233.18919775
Charge
0
InChI
InChI=1S/C14H23N3/c1-16-7-2-8-17(10-9-16)12-14-5-3-13(11-15)4-6-14/h3-6H,2,7-12,15H2,1H3
InChIKey
AQLZGQUKWNQYPH-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(cc1)CN1CCCN(CC1)C
Isomeric Smiles
NCc1ccc(cc1)CN1CCCN(CC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-5.609892
LogD (pH = 7.4)
-3.1250875
Log P
0.94749033
Molar Refractivity
73.9896
Polarizability
28.95911
Polar Surface Area
32.5
Rotatable Bonds
3
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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