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Chemical ID: 5199377
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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