Molecule

ID:37665

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃ClN₂O
Molecular Mass
212.67602
Exact Mass
212.07164073
Charge
0
InChI
InChI=1S/C10H13ClN2O/c1-8-4-2-5-9(12-8)13-10(14)6-3-7-11/h2,4-5H,3,6-7H2,1H3,(H,12,13,14)
InChIKey
FCMWVGDPKDWOAU-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(n1)NC(=O)CCCCl
Isomeric Smiles
N(c1nc(ccc1)C)C(=O)CCCCl
Calculated Properties
JChem
Acid pKa
12.110233
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7060885
LogD (pH = 7.4)
1.7810715
Log P
1.7821292
Molar Refractivity
57.8767
Polarizability
21.599808
Polar Surface Area
41.99
Rotatable Bonds
4
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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