Chemical ID: 5818166

COc1ccc(c(c1)[N+](=O)[O-])NC(=O)Cc2ccccc2
Chemical ID:
5818166
Name [?]:
N-(4-methoxy-2-nitro-phenyl)-2-phenyl-acetamide
SMILES [?]:
COc1ccc(c(c1)[N+](=O)[O-])NC(=O)Cc2ccccc2
InChi [?]:
InChI=1/C15H14N2O4/c1-21-12-7-8-13(14(10-12)17(19)20)16-15(18)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,19,18,20,17,21,4,5,15,8,16,3,6,7,13,12,9,14,10,11,2/E:(3,4)(5,6)(19,20)/CRV:17.5/rA:21nCOCCCCCCN+OO-NCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s9;s6;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14N2O4
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:4.704
Area:478.006
Solvation:-7.24615
Coulombic:-41.2569
Bond Count [?]
All:22
Single:14
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:286.283
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.13
LogP (Chemaxon):2.92

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Descriptor Annotations

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