Chemical ID: 6440803

c1ccc(cc1)OS(=O)(=O)c2ccc3c4c2cccc4C(=O)N3
Chemical ID:
6440803
Name [?]:
None
SMILES [?]:
c1ccc(cc1)OS(=O)(=O)c2ccc3c4c2cccc4C(=O)N3
InChi [?]:
InChI=1/C17H11NO4S/c19-17-13-8-4-7-12-15(10-9-14(18-17)16(12)13)23(20,21)22-11-5-2-1-3-6-11/h1-10H,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,18,3,5,17,19,13,12,4,16,20,14,11,15,21,23,22,9,10,7,8/E:(2,3)(5,6)(20,21)/CRV:23.6/rA:23nCCCCCCOSOOCCCCCCCCCCCON/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;d8;s8;s11;d12;s13;d14;d11s15;s16;d17;s18;s15d19;s20;d21;s14s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H11NO4S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.77936
Area:457.829
Solvation:-2.66636
Coulombic:-31.2354
Bond Count [?]
All:26
Single:15
Double:11
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:325.34
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.2
LogP (Chemaxon):3.27

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Descriptor Annotations

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