Chemical ID: 4516403

c1ccc(cc1)NCS(=O)(=O)[O-]
Chemical ID:
4516403
Name [?]:
anilinomethanesulfonate
SMILES [?]:
c1ccc(cc1)NCS(=O)(=O)[O-]
InChi [?]:
InChI=1/C7H9NO3S/c9-12(10,11)6-8-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,9,10,11)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,8,4,7,10,11,12,9/E:(2,3)(4,5)(9,10,11)/CRV:12.6/rA:12nCCCCCCNCSOOO-/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;d9;s9;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H8NO3S-
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:-33.6948
Area:334.782
Solvation:-42.0644
Coulombic:7.29874
Bond Count [?]
All:12
Single:7
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:186.209
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.13
LogP (Chemaxon):0.76

Name Annotations

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Descriptor Annotations

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