Chemical ID: 5199377

c1ccc(cc1)NC(=Nc2ccccc2)S(=O)O
Chemical ID:
5199377
Name [?]:
anilino-phenylimino-methanesulfinic acid
SMILES [?]:
c1ccc(cc1)NC(=Nc2ccccc2)S(=O)O
InChi [?]:
InChI=1/C13H12N2O2S/c16-18(17)13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H,14,15)(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,13,2,6,12,14,3,5,11,15,4,10,8,7,9,17,18,16/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(14,15)(16,17)/rA:18cCCCCCCNCNCCCCCCSOO/rB:s1;d2;s3;d4;d1s5;s4;s7;w8;s9;s10;d11;s12;d13;d10s14;s8;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H12N2O2S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.99196
Area:427.654
Solvation:-2.69938
Coulombic:-40.7522
Bond Count [?]
All:19
Single:11
Double:8
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:260.313
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:0.69
LogP (Chemaxon):4.25

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