Chemical ID: 6710951

c1ccc(cc1)Cn2c3ccccc3c4c2nc(nn4)SCC(=O)[O-]
Chemical ID:
6710951
Name [?]:
None
SMILES [?]:
c1ccc(cc1)Cn2c3ccccc3c4c2nc(nn4)SCC(=O)[O-]
InChi [?]:
InChI=1/C18H14N4O2S/c23-15(24)11-25-18-19-17-16(20-21-18)13-8-4-5-9-14(13)22(17)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,23,24)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,12,11,3,5,13,10,7,22,4,14,9,23,15,16,18,17,20,19,8,24,25,21/E:(2,3)(6,7)(23,24)/rA:25nCCCCCCCNCCCCCCCCNCNNSCCOO-/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s14;s8s15;d16;s17;d18;d15s19;s18;s21;s22;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H13N4O2S-
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:-30.5076
Area:542.311
Solvation:-44.0654
Coulombic:-20.4756
Bond Count [?]
All:28
Single:18
Double:10
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:349.388
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.19
LogP (Chemaxon):3.59

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