Chemical ID: 6342818

Cc1c(sc(n1)NC(=O)c2cc(ccc2Cl)[N+](=O)[O-])C
Chemical ID:
6342818
Name [?]:
2-chloro-N-(4,5-dimethylthiazol-2-yl)-5-nitro-benzamide
SMILES [?]:
Cc1c(sc(n1)NC(=O)c2cc(ccc2Cl)[N+](=O)[O-])C
InChi [?]:
InChI=1/C12H10ClN3O3S/c1-6-7(2)20-12(14-6)15-11(17)9-5-8(16(18)19)3-4-10(9)13/h3-5H,1-2H3,(H,14,15,17)
InChi Info:
AuxInfo=1/1/N:1,20,13,14,11,2,3,12,10,15,8,5,16,6,7,17,9,18,19,4/E:(18,19)/CRV:16.5/rA:20nCCCSCNNCOCCCCCCClN+OO-C/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s12;d17;s17;s3;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H10ClN3O3S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:3.27809
Area:487.567
Solvation:-8.91107
Coulombic:-34.7801
Bond Count [?]
All:21
Single:14
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:311.745
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.36
LogP (Chemaxon):3.0

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Descriptor Annotations

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