Molecule

ID:6067

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₄O₃
Molecular Mass
300.39206
Exact Mass
300.17254463
Charge
0
InChI
InChI=1S/C19H24O3/c1-13(6-5-7-14(2)10-19(21)22)8-9-18-15(3)11-17(20)12-16(18)4/h5-9,11-12,14,20H,10H2,1-4H3,(H,21,22)/b7-5+,9-8+,13-6+/t14-/m1/s1
InChIKey
NGRFDFMAPACMPF-IAYLVMQDSA-N
Canonic Smiles
C/C(=C\C=C\[C@H](CC(=O)O)C)/C=C/c1c(C)cc(cc1C)O
Isomeric Smiles
c1(cc(c(c(c1)C)/C=C/C(=C/C=C/[C@H](CC(=O)O)C)/C)C)O
Calculated Properties
JChem
Acid pKa
4.9425726
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.3103724
LogD (pH = 7.4)
2.5479379
Log P
4.9735675
Molar Refractivity
93.8163
Polarizability
34.583733
Polar Surface Area
57.53
Rotatable Bonds
6
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
5.08
LOG S
-4.84
Solubility (Water)
4.35e-03 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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