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Chemical ID: 6833971
Chemical ID:
6833971
Name [?]:
(4-hydroxyphenyl)-phenylsulfonyl-azanide
SMILES [?]:
c1ccc(cc1)S(=O)(=O)[N-]c2ccc(cc2)O
InChi [?]:
InChI=1/C12H10NO3S/c14-11-8-6-10(7-9-11)13-17(15,16)12-4-2-1-3-5-12/h1-9,14H/q-1
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,12,16,13,15,11,14,4,10,17,8,9,7/E:(2,3)(4,5)(6,7)(8,9)(15,16)/CRV:13-1,17.6/rA:17nCCCCCCSOON-CCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;d7;d7;s7;s10;s11;d12;s13;d14;d11s15;s14;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H10NO3S- |
All Atoms: | 27 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -24.0922 |
Area: | 415.418 |
Solvation: | -34.4777 |
Coulombic: | 8.18136 |
Bond Count [?]
All: | 18 |
Single: | 10 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 248.279 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.15 |
LogP (Chemaxon): | 2.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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