Molecule

ID:29228

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀ClNO₂
Molecular Mass
305.7992
Exact Mass
305.11825657
Charge
0
InChI
InChI=1S/C17H20ClNO2/c1-12-8-13(2)10-15(9-12)21-7-6-19-14-4-5-17(20-3)16(18)11-14/h4-5,8-11,19H,6-7H2,1-3H3
InChIKey
FMUMELDTLSHNSI-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1Cl)NCCOc1cc(C)cc(c1)C
Isomeric Smiles
c1(cc(NCCOc2cc(cc(c2)C)C)ccc1OC)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.4898405
LogD (pH = 7.4)
4.562283
Log P
4.5632896
Molar Refractivity
88.1544
Polarizability
33.350677
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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