Chemical ID: 7134528

c1ccc(cc1)CCn2c3ccccc3c4c2nc(nn4)SCC(=O)[O-]
Chemical ID:
7134528
Name [?]:
None
SMILES [?]:
c1ccc(cc1)CCn2c3ccccc3c4c2nc(nn4)SCC(=O)[O-]
InChi [?]:
InChI=1/C19H16N4O2S/c24-16(25)12-26-19-20-18-17(21-22-19)14-8-4-5-9-15(14)23(18)11-10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,24,25)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,13,12,3,5,14,11,7,8,23,4,15,10,24,16,17,19,18,21,20,9,25,26,22/E:(2,3)(6,7)(24,25)/rA:26nCCCCCCCCNCCCCCCCCNCNNSCCOO-/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;s9s16;d17;s18;d19;d16s20;s19;s22;s23;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15N4O2S-
All Atoms:41
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:-29.5473
Area:583.1
Solvation:-44.1248
Coulombic:-20.7019
Bond Count [?]
All:29
Single:19
Double:10
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:363.414
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.35
LogP (Chemaxon):3.85

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Descriptor Annotations

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