Molecule

ID:76102

General Information
Structure
Molecular Formula
C₁₆H₂₄N₂O₂
Molecular Mass
276.37396
Exact Mass
276.18377802
Charge
0
InChI
InChI=1S/C16H24N2O2/c1-11-5-7-12(8-6-11)13-9-18(10-14(13)17)15(19)20-16(2,3)4/h5-8,13-14H,9-10,17H2,1-4H3/t13-,14-/m0/s1
InChIKey
RLAPHVKVTWWOCS-KBPBESRZSA-N
Canonic Smiles
N[C@H]1CN(C[C@H]1c1ccc(cc1)C)C(=O)OC(C)(C)C
Isomeric Smiles
N1(C(=O)OC(C)(C)C)C[C@@H](c2ccc(cc2)C)[C@H](C1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.5380609
LogD (pH = 7.4)
0.77152413
Log P
2.3680816
Molar Refractivity
79.7575
Polarizability
31.36286
Polar Surface Area
55.56
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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