Molecule

ID:123802

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClN₂O
Molecular Mass
210.66014
Exact Mass
210.05599066
Charge
0
InChI
InChI=1S/C10H11ClN2O/c11-9-5-6(12)1-4-8(9)10(14)13-7-2-3-7/h1,4-5,7H,2-3,12H2,(H,13,14)
InChIKey
XNNFLYUPGKETEO-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)Cl)C(=O)NC1CC1
Isomeric Smiles
c1(C(=O)NC2CC2)c(cc(cc1)N)Cl
Calculated Properties
JChem
Acid pKa
14.468448
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.2875154
LogD (pH = 7.4)
1.2882363
Log P
1.2882454
Molar Refractivity
56.7495
Polarizability
21.008467
Polar Surface Area
55.12
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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