Molecule

ID:90830

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₇N₃O₃
Molecular Mass
297.39318
Exact Mass
297.20524174
Charge
0
InChI
InChI=1S/C15H27N3O3/c1-15(2,3)21-14(20)18-10-6-7-12(11-18)16-13(19)17-8-4-5-9-17/h12H,4-11H2,1-3H3,(H,16,19)/t12-/m0/s1
InChIKey
VKTAHXZSOWMXQO-LBPRGKRZSA-N
Canonic Smiles
O=C(N1CCC[C@@H](C1)NC(=O)N1CCCC1)OC(C)(C)C
Isomeric Smiles
N1(C(=O)OC(C)(C)C)C[C@@H](NC(=O)N2CCCC2)CCC1
Calculated Properties
JChem
Acid pKa
15.298436
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.0973458
LogD (pH = 7.4)
1.097346
Log P
1.097346
Molar Refractivity
80.3044
Polarizability
31.183937
Polar Surface Area
61.88
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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