Molecule

ID:29231

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀ClNO₂
Molecular Mass
305.7992
Exact Mass
305.11825657
Charge
0
InChI
InChI=1S/C17H20ClNO2/c1-12-5-4-6-15(9-12)21-13(2)11-19-14-7-8-17(20-3)16(18)10-14/h4-10,13,19H,11H2,1-3H3
InChIKey
ZBEBPSDMMSGGRI-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1Cl)NCC(Oc1cccc(c1)C)C
Isomeric Smiles
c1(cc(NCC(Oc2cc(ccc2)C)C)ccc1OC)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.3897543
LogD (pH = 7.4)
4.4653883
Log P
4.4664435
Molar Refractivity
87.532
Polarizability
33.4276
Polar Surface Area
30.49
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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