Molecule

ID:53191

General Information
Structure
Molecular Formula
C₁₇H₂₄N₂O₂
Molecular Mass
288.38466
Exact Mass
288.18377802
Charge
0
InChI
InChI=1S/C17H24N2O2/c1-16(2,3)21-15(20)19-10-8-17(9-11-19)12-18-14-7-5-4-6-13(14)17/h4-7,18H,8-12H2,1-3H3
InChIKey
AENCMIPDBWGMRS-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC2(CC1)CNc1c2cccc1)OC(C)(C)C
Isomeric Smiles
C1CN(CCC21CNc1c2cccc1)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.361463
LogD (pH = 7.4)
2.371999
Log P
2.372135
Molar Refractivity
84.6564
Polarizability
32.16478
Polar Surface Area
41.57
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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