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Chemical ID: 5788882
Chemical ID:
5788882
Name [?]:
N-(4-nitro-2-phenoxy-phenyl)methanesulfonamide
SMILES [?]:
CS(=O)(=O)Nc1ccc(cc1Oc2ccccc2)N(=O)=O
InChi [?]:
InChI=1/C13H12N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h2-9,14H,1H3
InChi Info:
AuxInfo=1/0/N:1,16,15,17,14,18,8,7,10,9,13,6,11,5,19,20,21,3,4,12,2/E:(3,4)(5,6)(16,17)(18,19)/CRV:15.5,21.6/rA:21nCSOONCCCCCCOCCCCCCNOO/rB:s1;d2;d2;s2;s5;s6;d7;s8;d9;d6s10;s11;s12;s13;d14;s15;d16;d13s17;s9;d19;d19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H12N2O5S |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.18995 |
Area: | 469.591 |
Solvation: | -8.54983 |
Coulombic: | -28.4318 |
Bond Count [?]
All: | 22 |
Single: | 12 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 308.311 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 2.64 |
LogP (Chemaxon): | 1.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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