Chemical ID: 7310629

CCCOc1ccc(cc1)C=CC(=O)c2ccc(cc2)[N+](=O)[O-]
Chemical ID:
7310629
Name [?]:
1-(4-nitrophenyl)-3-(4-propoxyphenyl)-prop-2-en-1-one
SMILES [?]:
CCCOc1ccc(cc1)C=CC(=O)c2ccc(cc2)[N+](=O)[O-]
InChi [?]:
InChI=1/C18H17NO4/c1-2-13-23-17-10-3-14(4-11-17)5-12-18(20)15-6-8-16(9-7-15)19(21)22/h3-12H,2,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,7,9,11,16,20,17,19,6,10,12,3,8,15,18,5,13,21,14,22,23,4/E:(3,4)(6,7)(8,9)(10,11)(21,22)/CRV:19.5/rA:23nCCCOCCCCCCCCCOCCCCCCN+OO-/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;w11;s12;d13;s13;s15;d16;s17;d18;d15s19;s18;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17NO4
All Atoms:40
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:4.77923
Area:552.947
Solvation:-9.04444
Coulombic:-29.0391
Bond Count [?]
All:24
Single:15
Double:9
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:311.332
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.31
LogP (Chemaxon):4.53

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Descriptor Annotations

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