Molecule

ID:119851

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₅NO₂
Molecular Mass
275.3859
Exact Mass
275.18852905
Charge
0
InChI
InChI=1S/C17H25NO2/c1-11(2)13-9-8-12(3)10-16(13)20-17(19)14-6-4-5-7-15(14)18/h4-7,11-13,16H,8-10,18H2,1-3H3/t12-,13-,16-/m1/s1
InChIKey
SOXAGEOHPCXXIO-XJKCOSOUSA-N
Canonic Smiles
C[C@@H]1CC[C@@H]([C@@H](C1)OC(=O)c1ccccc1N)C(C)C
Isomeric Smiles
C(=O)(c1c(N)cccc1)O[C@H]1[C@H](CC[C@H](C1)C)C(C)C
Calculated Properties
JChem
Acid pKa
19.39169
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.9803867
LogD (pH = 7.4)
4.9806437
Log P
4.980647
Molar Refractivity
81.9677
Polarizability
31.736996
Polar Surface Area
52.32
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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