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Chemical ID: 5817233
Chemical ID:
5817233
Name [?]:
None
SMILES [?]:
c1cc2cccc3c2c(c1)NS3(=O)=O
InChi [?]:
InChI=1/C10H7NO2S/c12-14(13)9-6-2-4-7-3-1-5-8(11-14)10(7)9/h1-6,11H
InChi Info:
AuxInfo=1/0/N:1,5,2,4,10,6,3,9,7,8,11,13,14,12/E:(12,13)/CRV:14.6/rA:14nCCCCCCCCCCNSOO/rB:s1;d2;s3;d4;s5;d6;s3s7;d8;d1s9;s9;s7s11;d12;d12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H7NO2S |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.42698 |
Area: | 332.723 |
Solvation: | -1.89109 |
Coulombic: | -12.5111 |
Bond Count [?]
All: | 16 |
Single: | 9 |
Double: | 7 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 205.234 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.96 |
LogP (Chemaxon): | 1.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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