Molecule

ID:73553

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₃N₃
Molecular Mass
281.39532
Exact Mass
281.18919775
Charge
0
InChI
InChI=1S/C18H23N3/c19-17-8-4-5-9-18(17)20-16-10-12-21(13-11-16)14-15-6-2-1-3-7-15/h1-9,16,20H,10-14,19H2
InChIKey
MHXACMFKKGZLNW-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1NC1CCN(CC1)Cc1ccccc1
Isomeric Smiles
Nc1c(cccc1)NC1CCN(CC1)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.81054777
LogD (pH = 7.4)
0.83449537
Log P
2.3683772
Molar Refractivity
91.0159
Polarizability
34.102783
Polar Surface Area
41.29
Rotatable Bonds
4
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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