Molecule

ID:33512

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClN₂O
Molecular Mass
210.66014
Exact Mass
210.05599066
Charge
0
InChI
InChI=1S/C10H11ClN2O/c11-9-8(4-3-5-12-9)10(14)13-6-1-2-7-13/h3-5H,1-2,6-7H2
InChIKey
ILYOSYIJGVKBAA-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cccnc1Cl)N1CCCC1
Isomeric Smiles
C(=O)(c1c(nccc1)Cl)N1CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2835839
LogD (pH = 7.4)
1.2835851
Log P
1.2835852
Molar Refractivity
56.18
Polarizability
20.88208
Polar Surface Area
33.2
Rotatable Bonds
1
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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