Molecule

ID:89499

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₁N₃O
Molecular Mass
283.36814
Exact Mass
283.16846231
Charge
0
InChI
InChI=1S/C17H21N3O/c1-21-17-8-6-16(7-9-17)20-12-10-19(11-13-20)15-4-2-14(18)3-5-15/h2-9H,10-13,18H2,1H3
InChIKey
VXEGSRKPIUDPQT-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)N1CCN(CC1)c1ccc(cc1)N
Isomeric Smiles
N1(c2ccc(cc2)OC)CCN(c2ccc(cc2)N)CC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.284842
LogD (pH = 7.4)
2.819362
Log P
2.8329322
Molar Refractivity
88.1988
Polarizability
32.50375
Polar Surface Area
41.73
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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