Molecule

ID:102307

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₁N₃O₇
Molecular Mass
367.35384
Exact Mass
367.13795003
Charge
0
InChI
InChI=1S/C16H21N3O7/c1-16(2,3)26-15(22)18-12(8-9-13(17)20)14(21)25-11-6-4-10(5-7-11)19(23)24/h4-7,12H,8-9H2,1-3H3,(H2,17,20)(H,18,22)/t12-/m0/s1
InChIKey
HJMMCTZLXOVMFB-LBPRGKRZSA-N
Canonic Smiles
O=C([C@@H](NC(=O)OC(C)(C)C)CCC(=O)N)Oc1ccc(cc1)[N+](=O)[O-]
Isomeric Smiles
CC(C)(C)OC(=O)N[C@@H](CCC(=O)N)C(=O)Oc1ccc(cc1)[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
12.64513
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
1.4971294
LogD (pH = 7.4)
1.4971273
Log P
1.4971294
Molar Refractivity
88.8501
Polarizability
34.64862
Polar Surface Area
150.86
Rotatable Bonds
10
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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