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Chemical ID: 4995053
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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