Molecule

ID:58607

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₁N₃O₃
Molecular Mass
303.35624
Exact Mass
303.15829155
Charge
0
InChI
InChI=1S/C16H21N3O3/c1-6-22-16(20)15-14(17-10-18(2)3)12-9-11(21-5)7-8-13(12)19(15)4/h7-10H,6H2,1-5H3/b17-10+
InChIKey
HPBSZXJEPZEIBV-LICLKQGHSA-N
Canonic Smiles
CCOC(=O)c1c(/N=C/N(C)C)c2c(n1C)ccc(c2)OC
Isomeric Smiles
c1(c(n(c2c1cc(cc2)OC)C)C(=O)OCC)/N=C/N(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.38434914
LogD (pH = 7.4)
1.5729516
Log P
2.0245764
Molar Refractivity
88.0102
Polarizability
33.452404
Polar Surface Area
56.06
Rotatable Bonds
5
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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