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Chemical ID: 4732513

COc1ccc(cc1)C=CC(=O)c2ccccc2OCc3ccc(cc3)[N+](=O)[O-]

Chemical ID:

4732513

Name [?]:

3-(4-methoxyphenyl)-1-[2-[(4-nitrophenyl)methoxy]phenyl]-prop-2-en-1-one

SMILES [?]:

COc1ccc(cc1)C=CC(=O)c2ccccc2OCc3ccc(cc3)[N+](=O)[O-]

InChi [?]:

InChI=1/C23H19NO5/c1-28-20-13-8-17(9-14-20)10-15-22(25)21-4-2-3-5-23(21)29-16-18-6-11-19(12-7-18)24(26)27/h2-15H,16H2,1H3

InChi Info:

AuxInfo=1/0/N:1,15,16,14,17,22,26,5,7,9,23,25,4,8,10,20,6,21,24,3,13,11,18,27,12,28,29,2,19/E:(6,7)(8,9)(11,12)(13,14)(26,27)/CRV:24.5/rA:29nCOCCCCCCCCCOCCCCCCOCCCCCCCN+OO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;s19;s20;s21;d22;s23;d24;d21s25;s24;d27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₁₉NO₅
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	4.22253
Area:	616.73
Solvation:	-11.1957
Coulombic:	-35.9108

Bond Count [?]

All:	31
Single:	19
Double:	12
Rotors:	8
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	389.401
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	5.16
LogP (Chemaxon):	5.24

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value