Molecule

ID:41454

General Information
Structure
Molecular Formula
C₁₄H₁₄N₂O₃
Molecular Mass
258.27256
Exact Mass
258.10044232
Charge
0
InChI
InChI=1S/C14H14N2O3/c1-18-14(17)9-2-4-10(5-3-9)19-11-6-7-12(15)13(16)8-11/h2-8H,15-16H2,1H3
InChIKey
JVUMYACJZGHRAH-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)Oc1ccc(c(c1)N)N
Isomeric Smiles
C(=O)(c1ccc(Oc2cc(c(cc2)N)N)cc1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.8029861
LogD (pH = 7.4)
1.8189507
Log P
1.8191581
Molar Refractivity
73.7249
Polarizability
27.357107
Polar Surface Area
87.57
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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