Molecule

ID:69495

General Information
Structure
Molecular Formula
C₁₀H₁₄N₂O₂
Molecular Mass
194.23036
Exact Mass
194.1055277
Charge
0
InChI
InChI=1S/C10H14N2O2/c1-10(2,3)7-4-5-8(11)9(6-7)12(13)14/h4-6H,11H2,1-3H3
InChIKey
YXTJXBPEGJNGKV-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc(ccc1N)C(C)(C)C
Isomeric Smiles
c1(c(cc(cc1)C(C)(C)C)[N+](=O)[O-])N
Calculated Properties
JChem
Acid pKa
15.694528
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.2793539
LogD (pH = 7.4)
3.2793603
Log P
3.2793603
Molar Refractivity
55.7448
Polarizability
20.618973
Polar Surface Area
69.16
Rotatable Bonds
2
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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