Molecule

ID:101855

General Information
Structure
MolImage
Molecular Formula
C₁₆H₃₂N₄O₃
Molecular Mass
328.45028
Exact Mass
328.2474409
Charge
0
InChI
InChI=1S/C16H32N4O3/c1-16(2,3)23-15(22)18-13(7-6-10-19(4)5)14(21)20-11-8-17-9-12-20/h13,17H,6-12H2,1-5H3,(H,18,22)/t13-/m0/s1
InChIKey
CDZDEHVWAXDQAQ-ZDUSSCGKSA-N
Canonic Smiles
CN(CCC[C@@H](C(=O)N1CCNCC1)NC(=O)OC(C)(C)C)C
Isomeric Smiles
C(=O)(N1CCNCC1)[C@@H](NC(=O)OC(C)(C)C)CCCN(C)C
Calculated Properties
JChem
Acid pKa
13.917595
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-5.3013477
LogD (pH = 7.4)
-2.0898247
Log P
0.2570262
Molar Refractivity
90.5218
Polarizability
35.64806
Polar Surface Area
73.91
Rotatable Bonds
8
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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