Molecule

ID:12336

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₉N₃O
Molecular Mass
363.49586
Exact Mass
363.23106256
Charge
0
InChI
InChI=1S/C23H29N3O/c1-18(27)26-16-10-20-17-22(7-8-23(20)26)24-21-11-14-25(15-12-21)13-9-19-5-3-2-4-6-19/h2-8,17,21,24H,9-16H2,1H3
InChIKey
JVFSVNCIJRXULX-UHFFFAOYSA-N
Canonic Smiles
CC(=O)N1CCc2c1ccc(c2)NC1CCN(CC1)CCc1ccccc1
Isomeric Smiles
N1(CCc2cc(ccc12)NC1CCN(CC1)CCc1ccccc1)C(=O)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.63407844
LogD (pH = 7.4)
0.8978937
Log P
2.6276293
Molar Refractivity
112.359
Polarizability
42.527565
Polar Surface Area
35.58
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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