Molecule

ID:129032

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇ClN₂O
Molecular Mass
264.75058
Exact Mass
264.10294085
Charge
0
InChI
InChI=1S/C14H17ClN2O/c15-12-3-1-11(2-4-12)14(18)16-13-9-17-7-5-10(13)6-8-17/h1-4,10,13H,5-9H2,(H,16,18)
InChIKey
WECKJONDRAUFDD-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)Cl)NC1CN2CCC1CC2
Isomeric Smiles
Clc1ccc(cc1)C(=O)NC1CN2CCC1CC2
Calculated Properties
JChem
Acid pKa
14.822551
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.30775958
LogD (pH = 7.4)
1.4356446
Log P
2.0272558
Molar Refractivity
72.8082
Polarizability
27.991882
Polar Surface Area
32.34
Rotatable Bonds
2
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
References
Bioactivity
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