Molecule

ID:104393

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅N₃O₃
Molecular Mass
273.2872
Exact Mass
273.11134136
Charge
0
InChI
InChI=1S/C14H14N2.HNO3/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14;2-1(3)4/h1-7H,8-10H2,(H,15,16);(H,2,3,4)
InChIKey
ZAHXYMFVNNUHCP-UHFFFAOYSA-N
Canonic Smiles
C1CN=C(N1)Cc1cccc2c1cccc2.[O-][N+](=O)O
Isomeric Smiles
O[N+](=O)[O-].C1CN=C(Cc2c3ccccc3ccc2)N1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.22005366
LogD (pH = 7.4)
-0.070375994
Log P
2.193117
Molar Refractivity
65.5195
Polarizability
26.432104
Polar Surface Area
24.39
Rotatable Bonds
2
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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