Molecule

ID:121273

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClN₂O
Molecular Mass
210.66014
Exact Mass
210.05599066
Charge
0
InChI
InChI=1S/C10H11ClN2O/c11-7-3-4-9(8(12)6-7)13-5-1-2-10(13)14/h3-4,6H,1-2,5,12H2
InChIKey
ZEGLUXHUOCWBLH-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)N)N1CCCC1=O
Isomeric Smiles
N1(c2c(cc(cc2)Cl)N)C(=O)CCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.0767444
LogD (pH = 7.4)
1.0771389
Log P
1.0771439
Molar Refractivity
56.4374
Polarizability
21.187632
Polar Surface Area
46.33
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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