Molecule
ID:121988
General Information
Molecular Formula
C₁₅H₁₅N₃O
Molecular Mass
253.2991
Exact Mass
253.12151212
Charge
0
InChI
InChI=1S/C15H15N3O/c16-9-10-17-15-11-5-1-3-7-13(11)19-14-8-4-2-6-12(14)18-15/h1-8H,9-10,16H2,(H,17,18)
InChIKey
WKRAWSHDQUMKGH-UHFFFAOYSA-N
Canonic Smiles
NCCNC1=Nc2ccccc2Oc2c1cccc2
Isomeric Smiles
N1=C(c2c(Oc3c1cccc3)cccc2)NCCN
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.6385685
LogD (pH = 7.4)
1.2001861
Log P
1.9504783
Molar Refractivity
76.9113
Polarizability
28.817371
Polar Surface Area
59.64
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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