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Chemical ID: 5818166
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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