Chemical ID: 4099414

c1cc(ccc1Cc2cc(=O)c3c(s2)ccs3)F
Chemical ID:
4099414
Name [?]:
4-[(4-fluorophenyl)methyl]-5,9-dithiabicyclo[4.3.0]nona-3,7,10-trien-2-one
SMILES [?]:
c1cc(ccc1Cc2cc(=O)c3c(s2)ccs3)F
InChi [?]:
InChI=1/C14H9FOS2/c15-10-3-1-9(2-4-10)7-11-8-12(16)14-13(18-11)5-6-17-14/h1-6,8H,7H2
InChi Info:
AuxInfo=1/0/N:1,5,2,4,15,16,7,9,6,3,8,10,13,12,18,11,17,14/E:(1,2)(3,4)/rA:18nCCCCCCCCCCOCCSCCSF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d10;s10;d12;s8s13;s13;d15;s12s16;s3;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H9FOS2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.02406
Area:433.242
Solvation:-2.807
Coulombic:-14.2545
Bond Count [?]
All:20
Single:13
Double:7
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:276.351
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.9
LogP (Chemaxon):4.5

Name Annotations

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Descriptor Annotations

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