Molecule

ID:118961

General Information
Structure
MolImage
Molecular Formula
C₂₉H₅₀O
Molecular Mass
414.7067
Exact Mass
414.38616622
Charge
0
InChI
InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21+,23-,24+,25-,26?,27?,28+,29-/m1/s1
InChIKey
KZJWDPNRJALLNS-FOJPFJPCSA-N
Canonic Smiles
CC[C@H](C(C)C)CC[C@H]([C@H]1CCC2[C@]1(C)CCC1[C@H]2CC=C2[C@]1(C)CC[C@H](C2)O)C
Isomeric Smiles
[C@@]12(C([C@H]3C([C@@]4(C(=CC3)C[C@@H](CC4)O)C)CC2)CC[C@@H]1[C@@H](CC[C@@H](C(C)C)CC)C)C
Calculated Properties
JChem
Acid pKa
18.20429
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
7.8444767
LogD (pH = 7.4)
7.8444767
Log P
7.8444767
Molar Refractivity
129.7661
Polarizability
51.670784
Polar Surface Area
20.23
Rotatable Bonds
6
Lipinski's Rule of Five
false
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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