Chemical ID: 4235393

Cc1ccc(c(c1C)C)S(=O)(=O)n2c3ccccc3nn2
Chemical ID:
4235393
Name [?]:
1-(2,3,4-trimethylphenyl)sulfonylbenzotriazole
SMILES [?]:
Cc1ccc(c(c1C)C)S(=O)(=O)n2c3ccccc3nn2
InChi [?]:
InChI=1/C15H15N3O2S/c1-10-8-9-15(12(3)11(10)2)21(19,20)18-14-7-5-4-6-13(14)16-17-18/h4-9H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,9,17,16,18,15,3,4,2,7,6,19,14,5,20,21,13,11,12,10/E:(19,20)/CRV:21.6/rA:21nCCCCCCCCCSOONCCCCCCNN/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s5;d10;d10;s10;s13;s14;d15;s16;d17;d14s18;s19;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H15N3O2S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.64336
Area:454.873
Solvation:-1.72846
Coulombic:-9.19868
Bond Count [?]
All:23
Single:14
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:301.365
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.09
LogP (Chemaxon):4.17

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