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Chemical ID: 5218069

CCCCCCC(=O)C=Cc1ccc(cc1)OC(=O)c2ccc(cc2)[N+](=O)[O-]

Chemical ID:

5218069

Name [?]:

[4-(3-oxonon-1-enyl)phenyl] 4-nitrobenzoate

SMILES [?]:

CCCCCCC(=O)C=Cc1ccc(cc1)OC(=O)c2ccc(cc2)[N+](=O)[O-]

InChi [?]:

InChI=1/C22H23NO5/c1-2-3-4-5-6-20(24)14-7-17-8-15-21(16-9-17)28-22(25)18-10-12-19(13-11-18)23(26)27/h7-16H,2-6H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,3,4,5,6,10,12,16,21,25,22,24,9,13,15,11,20,23,7,14,18,26,8,19,27,28,17/E:(8,9)(10,11)(12,13)(15,16)(26,27)/CRV:23.5/rA:28nCCCCCCCOCCCCCCCCOCOCCCCCCN+OO-/rB:s1;s2;s3;s4;s5;s6;d7;s7;w9;s10;s11;d12;s13;d14;d11s15;s14;s17;d18;s18;s20;d21;s22;d23;d20s24;s23;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₃NO₅
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	7.78819
Area:	653.16
Solvation:	-8.54081
Coulombic:	-40.5391

Bond Count [?]

All:	29
Single:	19
Double:	10
Rotors:	11
Chiral:	1
Rigid Segments:	9

Chemical Properties

Molecular Weight:	381.422
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	5.93
LogP (Chemaxon):	6.1

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