Molecule

ID:47566

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂ClNO₃
Molecular Mass
299.79308
Exact Mass
299.12882125
Charge
0
InChI
InChI=1S/C15H21NO3.ClH/c1-3-4-11-5-7-12(8-6-11)19-13-9-14(16-10-13)15(17)18-2;/h5-8,13-14,16H,3-4,9-10H2,1-2H3;1H/t13-,14-;/m0./s1
InChIKey
BZWYFCVGLZMLCJ-IODNYQNNSA-N
Canonic Smiles
CCCc1ccc(cc1)O[C@@H]1CN[C@@H](C1)C(=O)OC.Cl
Isomeric Smiles
Cl.[C@@H]1(C[C@H](NC1)C(=O)OC)Oc1ccc(cc1)CCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.5571191
LogD (pH = 7.4)
2.5809116
Log P
2.6377654
Molar Refractivity
72.6544
Polarizability
29.061893
Polar Surface Area
47.56
Rotatable Bonds
6
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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