Molecule

ID:35456

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁N₃O
Molecular Mass
247.33604
Exact Mass
247.16846231
Charge
0
InChI
InChI=1S/C14H21N3O/c1-15-11-14(18)17-9-7-16(8-10-17)12-13-5-3-2-4-6-13/h2-6,15H,7-12H2,1H3
InChIKey
ZYURQJVFQLIMTQ-UHFFFAOYSA-N
Canonic Smiles
CNCC(=O)N1CCN(CC1)Cc1ccccc1
Isomeric Smiles
N1(C(=O)CNC)CCN(Cc2ccccc2)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.7780325
LogD (pH = 7.4)
-1.0237238
Log P
0.49710706
Molar Refractivity
73.0563
Polarizability
28.596487
Polar Surface Area
35.58
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
No Data Available
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Molecule Details
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References
Bioactivity
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