Chemical ID: 6711104

c1ccc(c(c1)C(=O)Nc2c(c3c(s2)CCCCC3)C(=O)[O-])F
Chemical ID:
6711104
Name [?]:
9-(2-fluorobenzoyl)amino-8-thiabicyclo[5.3.0]deca-9,11-diene-10-carboxylate
SMILES [?]:
c1ccc(c(c1)C(=O)Nc2c(c3c(s2)CCCCC3)C(=O)[O-])F
InChi [?]:
InChI=1/C17H16FNO3S/c18-12-8-5-4-6-10(12)15(20)19-16-14(17(21)22)11-7-2-1-3-9-13(11)23-16/h4-6,8H,1-3,7,9H2,(H,19,20)(H,21,22)/p-1
InChi Info:
AuxInfo=1/1/N:17,18,16,1,2,6,19,3,15,5,12,4,13,11,7,10,20,23,9,8,21,22,14/E:(21,22)/rA:23nCCCCCCCONCCCCSCCCCCCOO-F/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;d10;s11;d12;s10s13;s13;s15;s16;s17;s12s18;s11;d20;s20;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15FNO3S-
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:-29.229
Area:489.348
Solvation:-41.4627
Coulombic:-28.7726
Bond Count [?]
All:25
Single:18
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:332.37
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.22
LogP (Chemaxon):4.22

Name Annotations

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Descriptor Annotations

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