Chemical ID: 5098989

c1cc(sc1)CN(c2ccc(cc2)[N+](=O)[O-])C(=O)CCl
Chemical ID:
5098989
Name [?]:
2-chloro-N-(4-nitrophenyl)-N-(2-thienylmethyl)acetamide
SMILES [?]:
c1cc(sc1)CN(c2ccc(cc2)[N+](=O)[O-])C(=O)CCl
InChi [?]:
InChI=1/C13H11ClN2O3S/c14-8-13(17)15(9-12-2-1-7-20-12)10-3-5-11(6-4-10)16(18)19/h1-7H,8-9H2
InChi Info:
AuxInfo=1/0/N:1,2,9,13,10,12,5,19,6,8,11,3,17,20,7,14,18,15,16,4/E:(3,4)(5,6)(18,19)/CRV:16.5/rA:20nCCCSCCNCCCCCCN+OO-COCCl/rB:s1;d2;s3;d1s4;s3;s6;s7;s8;d9;s10;d11;d8s12;s11;d14;s14;s7;d17;s17;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H11ClN2O3S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:4.02657
Area:490.51
Solvation:-8.23618
Coulombic:-27.7233
Bond Count [?]
All:21
Single:14
Double:7
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:310.757
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.2
LogP (Chemaxon):2.88

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