Molecule

ID:20533

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅NO₃
Molecular Mass
257.2845
Exact Mass
257.10519335
Charge
0
InChI
InChI=1S/C15H15NO3/c1-10-8-13(6-7-14(10)16)19-12-5-3-4-11(9-12)15(17)18-2/h3-9H,16H2,1-2H3
InChIKey
ZXRSTWWZKANFGE-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cccc(c1)Oc1ccc(c(c1)C)N
Isomeric Smiles
C(=O)(c1cc(Oc2cc(c(cc2)N)C)ccc1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.1472125
LogD (pH = 7.4)
3.1613224
Log P
3.1615055
Molar Refractivity
74.0657
Polarizability
27.976166
Polar Surface Area
61.55
Rotatable Bonds
4
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
No Data Available
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Molecule Details
References
Bioactivity
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