Molecule

ID:36157

General Information
Structure
MolImage
Molecular Formula
C₁₇H₃₀N₂O₃
Molecular Mass
310.4317
Exact Mass
310.22564283
Charge
0
InChI
InChI=1S/C17H30N2O3/c1-17(2,3)22-16(21)19-11-14(15(20)12-19)18-10-9-13-7-5-4-6-8-13/h7,14-15,18,20H,4-6,8-12H2,1-3H3/t14-,15-/m1/s1
InChIKey
VQBUQKSCYXURSG-HUUCEWRRSA-N
Canonic Smiles
O[C@@H]1CN(C[C@H]1NCCC1=CCCCC1)C(=O)OC(C)(C)C
Isomeric Smiles
N1(C(=O)OC(C)(C)C)C[C@H]([C@@H](C1)O)NCCC1=CCCCC1
Calculated Properties
JChem
Acid pKa
14.168716
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.0552312
LogD (pH = 7.4)
0.26008138
Log P
2.059137
Molar Refractivity
87.3496
Polarizability
34.39081
Polar Surface Area
61.8
Rotatable Bonds
6
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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