Chemical ID: 7292079

Cc1cc(ccc1[N+](=O)[O-])C(=O)N(C)Cc2cccs2
Chemical ID:
7292079
Name [?]:
N,3-dimethyl-4-nitro-N-(2-thienylmethyl)benzamide
SMILES [?]:
Cc1cc(ccc1[N+](=O)[O-])C(=O)N(C)Cc2cccs2
InChi [?]:
InChI=1/C14H14N2O3S/c1-10-8-11(5-6-13(10)16(18)19)14(17)15(2)9-12-4-3-7-20-12/h3-8H,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,18,17,5,6,19,3,15,2,4,16,7,11,13,8,12,9,10,20/E:(18,19)/CRV:16.5/rA:20nCCCCCCCN+OO-CONCCCCCCS/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s4;d11;s11;s13;s13;s15;d16;s17;d18;s16s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H14N2O3S
All Atoms:34
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:4.33652
Area:473.745
Solvation:-7.50711
Coulombic:-30.2117
Bond Count [?]
All:21
Single:14
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:290.339
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.34
LogP (Chemaxon):2.8

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Descriptor Annotations

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