Molecule

ID:48550

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉ClN₂O
Molecular Mass
266.76646
Exact Mass
266.11859092
Charge
0
InChI
InChI=1S/C14H19ClN2O/c1-2-17(11-7-4-3-5-8-11)14(18)12-9-6-10-16-13(12)15/h6,9-11H,2-5,7-8H2,1H3
InChIKey
TTZXCUFJHRKEPZ-UHFFFAOYSA-N
Canonic Smiles
CCN(C(=O)c1cccnc1Cl)C1CCCCC1
Isomeric Smiles
C(=O)(c1c(nccc1)Cl)N(C1CCCCC1)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0338645
LogD (pH = 7.4)
3.0338662
Log P
3.0338662
Molar Refractivity
74.4018
Polarizability
28.220486
Polar Surface Area
33.2
Rotatable Bonds
3
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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