Chemical ID: 4995053

c1ccc2c(c1)-c3c4c(cccc4sn3)C2=O
Chemical ID:
4995053
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)-c3c4c(cccc4sn3)C2=O
InChi [?]:
InChI=1/C14H7NOS/c16-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)17-15-13/h1-7H
InChi Info:
AuxInfo=1/0/N:1,2,11,6,3,10,12,5,4,9,13,8,7,16,15,17,14/rA:17nCCCCCCCCCCCCCSNCO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s10;d11;d8s12;s13;d7s14;s4s9;d16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H7NOS
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.90775
Area:379.218
Solvation:-1.5727
Coulombic:-13.9497
Bond Count [?]
All:20
Single:12
Double:8
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:237.278
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.73
LogP (Chemaxon):3.32

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Descriptor Annotations

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