Molecule

ID:84696

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClN₂O
Molecular Mass
210.66014
Exact Mass
210.05599066
Charge
0
InChI
InChI=1S/C10H11ClN2O/c1-7-2-3-8(6-9(7)11)13-5-4-12-10(13)14/h2-3,6H,4-5H2,1H3,(H,12,14)
InChIKey
DKSGHEFILYXKBC-UHFFFAOYSA-N
Canonic Smiles
O=C1NCCN1c1ccc(c(c1)Cl)C
Isomeric Smiles
N1(c2cc(c(cc2)C)Cl)C(=O)NCC1
Calculated Properties
JChem
Acid pKa
15.585224
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.911094
LogD (pH = 7.4)
1.911094
Log P
1.911094
Molar Refractivity
55.4873
Polarizability
21.10934
Polar Surface Area
32.34
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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