Molecule
ID:122756
General Information
Molecular Formula
C₁₇H₂₅N₃
Molecular Mass
271.4005
Exact Mass
271.20484782
Charge
0
InChI
InChI=1S/C17H25N3/c1-15-8-16(2)11-19(9-15)17(3,20(10-15)12-16)13-5-4-6-14(18)7-13/h4-7H,8-12,18H2,1-3H3
InChIKey
QRPWWLRYBHEEFH-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)C1(C)N2CC3(CN1CC(C2)(C3)C)C
Isomeric Smiles
C1(N2CC3(CN1CC(C2)(C3)C)C)(c1cc(N)ccc1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.8880332
LogD (pH = 7.4)
2.3171785
Log P
2.4902272
Molar Refractivity
83.9878
Polarizability
32.618015
Polar Surface Area
32.5
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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