Chemical ID: 5781717

CC(C)(C)c1ccc(cc1)C(=O)Oc2ccc(cc2)C=CC(=O)c3ccc(cc3)Br
Chemical ID:
5781717
Name [?]:
[4-[3-(4-bromophenyl)-3-oxo-prop-1-enyl]phenyl] 4-tert-butylbenzoate
SMILES [?]:
CC(C)(C)c1ccc(cc1)C(=O)Oc2ccc(cc2)C=CC(=O)c3ccc(cc3)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H23BrO3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:13.7466
Area:664.566
Solvation:-2.86757
Coulombic:-32.571
Bond Count [?]
All:32
Single:20
Double:12
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:463.363
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:7.96
LogP (Chemaxon):7.66

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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