Molecule

ID:74597

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀N₂O₃
Molecular Mass
300.3523
Exact Mass
300.14739251
Charge
0
InChI
InChI=1S/C17H20N2O3/c20-16(8-9-17(21)22)19-13-11-18(12-14-19)10-4-7-15-5-2-1-3-6-15/h1-9H,10-14H2,(H,21,22)
InChIKey
QOOIMMZWEPKWFN-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCN(CC1)C/C=C/c1ccccc1)/C=C/C(=O)O
Isomeric Smiles
N1(C(=O)/C=C/C(=O)O)CCN(CC1)C/C=C/c1ccccc1
Calculated Properties
JChem
Acid pKa
3.350355
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.87242764
LogD (pH = 7.4)
-1.4417709
Log P
-0.8599038
Molar Refractivity
87.2039
Polarizability
32.69233
Polar Surface Area
60.85
Rotatable Bonds
5
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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