Chemical ID: 6667869

c1cc(cc(c1)[N+](=O)[O-])C(=O)C=Cc2cc(ccc2Cl)[N+](=O)[O-]
Chemical ID:
6667869
Name [?]:
3-(2-chloro-5-nitro-phenyl)-1-(3-nitrophenyl)-prop-2-en-1-one
SMILES [?]:
c1cc(cc(c1)[N+](=O)[O-])C(=O)C=Cc2cc(ccc2Cl)[N+](=O)[O-]
InChi [?]:
InChI=1/C15H9ClN2O5/c16-14-6-5-13(18(22)23)8-10(14)4-7-15(19)11-2-1-3-12(9-11)17(20)21/h1-9H
InChi Info:
AuxInfo=1/0/N:1,2,6,13,17,18,12,15,4,14,3,5,16,19,10,20,7,21,11,8,9,22,23/E:(20,21)(22,23)/CRV:17.5,18.5/rA:23nCCCCCCN+OO-COCCCCCCCCClN+OO-/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s3;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s19;s16;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H9ClN2O5
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:-0.084458
Area:515.787
Solvation:-12.9791
Coulombic:-32.5204
Bond Count [?]
All:24
Single:14
Double:10
Rotors:5
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:332.695
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:4.01
LogP (Chemaxon):4.44

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Descriptor Annotations

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