Molecule

ID:63703

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₈N₂O₃
Molecular Mass
344.44792
Exact Mass
344.20999277
Charge
0
InChI
InChI=1S/C20H28N2O3/c1-19(2,3)25-18(24)22-12-7-10-20(15-22)11-13-21(17(20)23)14-16-8-5-4-6-9-16/h4-6,8-9H,7,10-15H2,1-3H3
InChIKey
SXPPWMULMVXLHI-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCCC2(C1)CCN(C2=O)Cc1ccccc1)OC(C)(C)C
Isomeric Smiles
C1C2(C(=O)N(Cc3ccccc3)CC2)CN(C(=O)OC(C)(C)C)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7666967
LogD (pH = 7.4)
2.7666967
Log P
2.7666967
Molar Refractivity
96.914
Polarizability
37.760914
Polar Surface Area
49.85
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
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Molecule Details
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References
Bioactivity
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