Chemical ID: 5817233

c1cc2cccc3c2c(c1)NS3(=O)=O
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

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Descriptor Annotations

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