Chemical ID: 4645220

c1ccc2c(c1)Oc3cc4cc[nH]c4cc3S2
Chemical ID:
4645220
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)Oc3cc4cc[nH]c4cc3S2
InChi [?]:
InChI=1/C14H9NOS/c1-2-4-13-11(3-1)16-12-7-9-5-6-15-10(9)8-14(12)17-13/h1-8,15H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,11,12,9,15,10,14,5,8,4,16,13,7,17/rA:17nCCCCCCOCCCCCNCCCS/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s10;d11;s12;s10s13;d14;d8s15;s4s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H9NOS
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.13549
Area:387.311
Solvation:-1.5473
Coulombic:-20.7788
Bond Count [?]
All:20
Single:13
Double:7
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:239.293
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.83
LogP (Chemaxon):4.34

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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