Molecule
ID:122461
General Information
Molecular Formula
C₁₆H₂₃N₃O
Molecular Mass
273.37332
Exact Mass
273.18411237
Charge
0
InChI
InChI=1S/C16H23N3O/c1-15-7-18-9-16(2,14(15)20)10-19(8-15)13(18)11-3-5-12(17)6-4-11/h3-6,13-14,20H,7-10,17H2,1-2H3
InChIKey
ORIAXSJSLQCKJW-UHFFFAOYSA-N
Canonic Smiles
OC1C2(C)CN3CC1(C)CN(C2)C3c1ccc(cc1)N
Isomeric Smiles
C12(C(C3(CN(C(N(C2)C3)c2ccc(N)cc2)C1)C)O)C
Calculated Properties
JChem
Acid pKa
14.169678
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.39427695
LogD (pH = 7.4)
1.1412992
Log P
1.1672609
Molar Refractivity
80.3275
Polarizability
31.368711
Polar Surface Area
52.73
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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