Chemical ID: 5686291

COCCCN1C(C(=C(c2ccc(cc2)Cl)O)C(=O)C1=O)c3ccccc3F
Chemical ID:
5686291
Name [?]:
4-[(4-chlorophenyl)-hydroxy-methylene]-5-(2-fluorophenyl)-1-(3-methoxypropyl)pyrrolidine-2,3-dione
SMILES [?]:
COCCCN1C(C(=C(c2ccc(cc2)Cl)O)C(=O)C1=O)c3ccccc3F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H19ClFNO4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:9.01995
Area:576.488
Solvation:-5.39224
Coulombic:-56.7805
Bond Count [?]
All:30
Single:21
Double:9
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:403.831
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.51
LogP (Chemaxon):2.32

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Experimental Annotations

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Descriptor Annotations

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