Molecule

ID:74580

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇ClN₂O
Molecular Mass
264.75058
Exact Mass
264.10294085
Charge
0
InChI
InChI=1S/C14H17ClN2O/c1-14(2)7-10(6-11(18)8-14)17-13-4-3-9(15)5-12(13)16/h3-6,17H,7-8,16H2,1-2H3
InChIKey
SPMQMVCURANVJN-UHFFFAOYSA-N
Canonic Smiles
O=C1C=C(Nc2ccc(cc2N)Cl)CC(C1)(C)C
Isomeric Smiles
N(C1=CC(=O)CC(C1)(C)C)c1c(cc(cc1)Cl)N
Calculated Properties
JChem
Acid pKa
16.428114
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.4550235
LogD (pH = 7.4)
2.4557412
Log P
2.4557502
Molar Refractivity
77.9064
Polarizability
28.29472
Polar Surface Area
55.12
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
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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