Chemical ID: 6217839

c1ccc2c(c1)ccc3c2nc(s3)NC(=O)c4cc(ccc4[N+](=O)[O-])Cl
Chemical ID:
6217839
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc3c2nc(s3)NC(=O)c4cc(ccc4[N+](=O)[O-])Cl
InChi [?]:
InChI=1/C18H10ClN3O3S/c19-11-6-7-14(22(24)25)13(9-11)17(23)21-18-20-16-12-4-2-1-3-10(12)5-8-15(16)26-18/h1-9H,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,20,21,8,18,5,19,4,17,22,9,10,15,12,26,11,14,23,16,24,25,13/E:(24,25)/CRV:22.5/rA:26nCCCCCCCCCCNCSNCOCCCCCCN+OO-Cl/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s9s12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;d23;s23;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H10ClN3O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:4.57354
Area:558.988
Solvation:-9.40115
Coulombic:-36.8088
Bond Count [?]
All:29
Single:18
Double:11
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:383.809
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.56
LogP (Chemaxon):5.61

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