Chemical ID: 5616380

CC(=O)N=c1[nH]c(cs1)c2ccc(cc2)[N+](=O)[O-]
Chemical ID:
5616380
Name [?]:
N-[4-(4-nitrophenyl)-3H-thiazol-2-ylidene]acetamide
SMILES [?]:
CC(=O)N=c1[nH]c(cs1)c2ccc(cc2)[N+](=O)[O-]
InChi [?]:
InChI=1/C11H9N3O3S/c1-7(15)12-11-13-10(6-18-11)8-2-4-9(5-3-8)14(16)17/h2-6H,1H3,(H,12,13,15)
InChi Info:
AuxInfo=1/1/N:1,11,15,12,14,8,2,10,13,7,5,4,6,16,3,17,18,9/E:(2,3)(4,5)(16,17)/CRV:14.5/rA:18nCCONCNCCSCCCCCCN+OO-/rB:s1;d2;s2;w4;s5;s6;d7;s5s8;s7;s10;d11;s12;d13;d10s14;s13;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H9N3O3S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:3.838
Area:439.79
Solvation:-7.15676
Coulombic:-38.3994
Bond Count [?]
All:19
Single:12
Double:7
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:263.274
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.53
LogP (Chemaxon):2.28

Name Annotations

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Descriptor Annotations

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