Chemical ID: 6948675

Cc1cc2c(cc1Cl)nc(s2)NC(=O)c3ccccc3[N+](=O)[O-]
Chemical ID:
6948675
Name [?]:
N-(5-chloro-6-methyl-benzothiazol-2-yl)-2-nitro-benzamide
SMILES [?]:
Cc1cc2c(cc1Cl)nc(s2)NC(=O)c3ccccc3[N+](=O)[O-]
InChi [?]:
InChI=1/C15H10ClN3O3S/c1-8-6-13-11(7-10(8)16)17-15(23-13)18-14(20)9-4-2-3-5-12(9)19(21)22/h2-7H,1H3,(H,17,18,20)
InChi Info:
AuxInfo=1/1/N:1,17,18,16,19,3,6,2,15,7,5,20,4,13,10,8,9,12,21,14,22,23,11/E:(21,22)/CRV:19.5/rA:23nCCCCCCCClNCSNCOCCCCCCN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s4s10;s10;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H10ClN3O3S
All Atoms:33
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:3.49391
Area:522.28
Solvation:-9.56309
Coulombic:-36.0095
Bond Count [?]
All:25
Single:16
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:347.777
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.52
LogP (Chemaxon):5.08

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