Chemical ID: 6442801

c1cc(cc(c1)[N+](=O)[O-])NC(=O)COc2ccc(cc2)C=O
Chemical ID:
6442801
Name [?]:
2-(4-formylphenoxy)-N-(3-nitrophenyl)-acetamide
SMILES [?]:
c1cc(cc(c1)[N+](=O)[O-])NC(=O)COc2ccc(cc2)C=O
InChi [?]:
InChI=1/C15H12N2O5/c18-9-11-4-6-14(7-5-11)22-10-15(19)16-12-2-1-3-13(8-12)17(20)21/h1-9H,10H2,(H,16,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,17,19,16,20,4,21,13,18,3,5,15,11,10,7,22,12,8,9,14/E:(4,5)(6,7)(20,21)/CRV:17.5/rA:22nCCCCCCN+OO-NCOCOCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s3;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s18;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12N2O5
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:1.76463
Area:512.244
Solvation:-11.0415
Coulombic:-45.5444
Bond Count [?]
All:23
Single:14
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:300.266
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:2.14
LogP (Chemaxon):2.5

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Descriptor Annotations

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