Molecule
ID:122530
General Information
Molecular Formula
C₁₇H₂₃N₃O
Molecular Mass
285.38402
Exact Mass
285.18411237
Charge
0
InChI
InChI=1S/C17H23N3O/c1-15-8-19-10-16(2,14(15)21)11-20(9-15)17(19,3)12-4-6-13(18)7-5-12/h4-7H,8-11,18H2,1-3H3
InChIKey
QQWPUAXBSPZQCL-UHFFFAOYSA-N
Canonic Smiles
O=C1C2(C)CN3CC1(C)CN(C2)C3(C)c1ccc(cc1)N
Isomeric Smiles
C12(C(=O)C3(CN(C(N(C1)C3)(c1ccc(N)cc1)C)C2)C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.2711501
LogD (pH = 7.4)
2.2809246
Log P
2.3348782
Molar Refractivity
84.7328
Polarizability
32.663643
Polar Surface Area
49.57
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
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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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