Molecule

ID:72928

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-VJSFXXLFSA-N
Canonic Smiles
CC[C@@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C
Isomeric Smiles
C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2(C1)C)CC[C@]1([C@H]3CC[C@@H]1[C@@H](CC[C@@H](CC)C(C)C)C)C)O
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
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation