Molecule

ID:74307

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉N₃O
Molecular Mass
281.35226
Exact Mass
281.15281224
Charge
0
InChI
InChI=1S/C17H19N3O/c21-17(19-13-11-18-12-14-19)20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,18H,11-14H2
InChIKey
XQRSOLXZAPIGQA-UHFFFAOYSA-N
Canonic Smiles
O=C(N(c1ccccc1)c1ccccc1)N1CCNCC1
Isomeric Smiles
N(c1ccccc1)(c1ccccc1)C(=O)N1CCNCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.03962242
LogD (pH = 7.4)
1.7529954
Log P
2.310859
Molar Refractivity
83.04
Polarizability
32.25235
Polar Surface Area
35.58
Rotatable Bonds
2
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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