Molecule
ID:79487
General Information
Molecular Formula
C₁₇H₂₅NO
Molecular Mass
259.3865
Exact Mass
259.19361443
Charge
0
InChI
InChI=1S/C17H25NO/c1-11(18-19)14-9-12(16(2,3)4)10-15-13(14)7-8-17(15,5)6/h9-10,19H,7-8H2,1-6H3
InChIKey
GXCYRUOTOFUODM-UHFFFAOYSA-N
Canonic Smiles
O/N=C(/c1cc(cc2c1CCC2(C)C)C(C)(C)C)\C
Isomeric Smiles
N(=C(\c1c2c(cc(c1)C(C)(C)C)C(C)(C)CC2)/C)/O
Calculated Properties
JChem
Acid pKa
9.479641
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.677973
LogD (pH = 7.4)
4.6765685
Log P
4.680181
Molar Refractivity
80.8533
Polarizability
31.04635
Polar Surface Area
32.59
Rotatable Bonds
2
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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