Molecule

ID:46711

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁ClN₂O₃
Molecular Mass
300.78114
Exact Mass
300.12407022
Charge
0
InChI
InChI=1S/C14H20N2O3.ClH/c1-11-10-13(2-3-14(11)16(17)18)19-9-6-12-4-7-15-8-5-12;/h2-3,10,12,15H,4-9H2,1H3;1H
InChIKey
OMEQQYRWWAIWOK-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(cc1C)OCCC1CCNCC1.Cl
Isomeric Smiles
[N+](=O)(c1c(cc(cc1)OCCC1CCNCC1)C)[O-].Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.49163175
LogD (pH = 7.4)
-0.03524178
Log P
2.739954
Molar Refractivity
74.5395
Polarizability
28.321692
Polar Surface Area
67.08
Rotatable Bonds
5
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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