Molecule

ID:40883

General Information
Structure
Molecular Formula
C₁₁H₁₄N₂O₂
Molecular Mass
206.24106
Exact Mass
206.1055277
Charge
0
InChI
InChI=1S/C11H14N2O2/c14-13(15)11-3-1-9(2-4-11)10-5-7-12-8-6-10/h1-4,10,12H,5-8H2
InChIKey
CDSJZBOLNDWPAA-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(cc1)C1CCNCC1
Isomeric Smiles
C1C(CCNC1)c1ccc(cc1)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.2007592
LogD (pH = 7.4)
-0.4991791
Log P
2.0182948
Molar Refractivity
57.7995
Polarizability
22.112404
Polar Surface Area
55.17
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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