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Chemical ID: 5137694
Chemical ID:
5137694
Name [?]:
N-(4-acridin-9-ylaminophenyl)methanesulfonamide
SMILES [?]:
CS(=O)(=O)Nc1ccc(cc1)Nc2c3ccccc3nc4c2cccc4
InChi [?]:
InChI=1/C20H17N3O2S/c1-26(24,25)23-15-12-10-14(11-13-15)21-20-16-6-2-4-8-18(16)22-19-9-5-3-7-17(19)20/h2-13,23H,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,16,24,17,25,15,23,18,26,8,10,7,11,9,6,14,22,19,21,13,12,20,5,3,4,2/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(16,17)(18,19)(24,25)/CRV:26.6/rA:26nCSOONCCCCCCNCCCCCCCNCCCCCC/rB:s1;d2;d2;s2;s5;s6;d7;s8;d9;d6s10;s9;s12;s13;s14;d15;s16;d17;d14s18;s19;d20;d13s21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H17N3O2S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3155 |
Area: | 544.253 |
Solvation: | -3.29082 |
Coulombic: | -28.1413 |
Bond Count [?]
All: | 29 |
Single: | 17 |
Double: | 12 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 363.434 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.51 |
LogP (Chemaxon): | 3.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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