Chemical ID: 6638258

c1cc(ccc1NC(=O)CS(=O)CC(=O)O)[N+](=O)[O-]
Chemical ID:
6638258
Name [?]:
2-[(4-nitrophenyl)carbamoylmethylsulfinyl]acetic acid
SMILES [?]:
c1cc(ccc1NC(=O)CS(=O)CC(=O)O)[N+](=O)[O-]
InChi [?]:
InChI=1/C10H10N2O6S/c13-9(5-19(18)6-10(14)15)11-7-1-3-8(4-2-7)12(16)17/h1-4H,5-6H2,(H,11,13)(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,10,13,6,3,8,14,7,17,9,15,16,18,19,12,11/E:(1,2)(3,4)(14,15)(16,17)/CRV:12.5/rA:19cCCCCCCNCOCSOCCOON+OO-/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;d11;s11;s13;d14;s14;s3;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H10N2O6S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:-0.292302
Area:469.856
Solvation:-12.0387
Coulombic:-55.5452
Bond Count [?]
All:19
Single:12
Double:7
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:286.262
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:-0.93
LogP (Chemaxon):-0.1

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Descriptor Annotations

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