Chemical ID: 6817947

CCCCOc1ccccc1C=C2C(=NOC2=O)c3ccc(cc3)Cl
Chemical ID:
6817947
Name [?]:
4-[(2-butoxyphenyl)methylene]-3-(4-chlorophenyl)-isoxazol-5-one
SMILES [?]:
CCCCOc1ccccc1C=C2C(=NOC2=O)c3ccc(cc3)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H18ClNO3
All Atoms:43
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.5727
Area:541.796
Solvation:-2.97217
Coulombic:-27.2162
Bond Count [?]
All:27
Single:18
Double:9
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:355.815
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:6.06
LogP (Chemaxon):5.6

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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