Molecule

ID:131777

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₂O
Molecular Mass
254.36668
Exact Mass
254.16706532
Charge
0
InChI
InChI=1S/C18H22O/c1-18-11-10-14-13-5-3-2-4-12(13)6-7-15(14)16(18)8-9-17(18)19/h2-5,14-16H,6-11H2,1H3/t14-,15-,16+,18+/m1/s1
InChIKey
LGHBWDKMGOIZKH-CBZIJGRNSA-N
Canonic Smiles
O=C1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1cccc2
Isomeric Smiles
C[C@]12CC[C@@H]3c4ccccc4CC[C@H]3[C@@H]1CCC2=O
Calculated Properties
JChem
Acid pKa
19.957535
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.612594
LogD (pH = 7.4)
4.612594
Log P
4.612594
Molar Refractivity
77.1015
Polarizability
30.178617
Polar Surface Area
17.07
Rotatable Bonds
0
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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