Molecule

ID:17997

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₇NO₂
Molecular Mass
255.31168
Exact Mass
255.12592879
Charge
0
InChI
InChI=1S/C16H17NO2/c17-14(10-12-4-2-1-3-5-12)13-6-7-15-16(11-13)19-9-8-18-15/h1-7,11,14H,8-10,17H2
InChIKey
QGVBKZRNJLJGFM-UHFFFAOYSA-N
Canonic Smiles
NC(c1ccc2c(c1)OCCO2)Cc1ccccc1
Isomeric Smiles
c12cc(C(Cc3ccccc3)N)ccc1OCCO2
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.313052
LogD (pH = 7.4)
0.5344232
Log P
2.685048
Molar Refractivity
74.5266
Polarizability
29.369862
Polar Surface Area
44.48
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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