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Chemical ID: 7039373

c1ccc(cc1)C(=O)Oc2ccc(cc2)C(=O)C=Cc3cccc(c3)[N+](=O)[O-]

Chemical ID:

7039373

Name [?]:

[4-[3-(3-nitrophenyl)prop-2-enoyl]phenyl] benzoate

SMILES [?]:

c1ccc(cc1)C(=O)Oc2ccc(cc2)C(=O)C=Cc3cccc(c3)[N+](=O)[O-]

InChi [?]:

InChI=1/C22H15NO5/c24-21(14-9-16-5-4-8-19(15-16)23(26)27)17-10-12-20(13-11-17)28-22(25)18-6-2-1-3-7-18/h1-15H

InChi Info:

AuxInfo=1/0/N:1,2,6,22,21,3,5,23,19,12,14,11,15,18,25,20,13,4,24,10,16,7,26,17,8,27,28,9/E:(2,3)(6,7)(10,11)(12,13)(26,27)/CRV:23.5/rA:28nCCCCCCCOOCCCCCCCOCCCCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;d16;s16;w18;s19;s20;d21;s22;d23;d20s24;s24;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₅NO₅
All Atoms:	43
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	7.1402
Area:	626.209
Solvation:	-8.51502
Coulombic:	-43.0109

Bond Count [?]

All:	30
Single:	17
Double:	13
Rotors:	7
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	373.358
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	5.12
LogP (Chemaxon):	5.2

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