Molecule

ID:69258

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₃N₃O₂
Molecular Mass
301.38342
Exact Mass
301.17902699
Charge
0
InChI
InChI=1S/C17H23N3O2/c1-17(2,3)22-16(21)20-10-6-7-12(11-20)15-18-13-8-4-5-9-14(13)19-15/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H,18,19)
InChIKey
NQJXCURWALTMNK-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCCC(C1)c1nc2c([nH]1)cccc2)OC(C)(C)C
Isomeric Smiles
c1(nc2c([nH]1)cccc2)C1CN(CCC1)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
11.727498
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.7266784
LogD (pH = 7.4)
2.9220004
Log P
2.9252472
Molar Refractivity
84.6819
Polarizability
34.23157
Polar Surface Area
58.22
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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