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Chemical ID: 6649972

Cc1ccc(cc1)OCC(=O)NN=Cc2ccc(cc2)OC(=O)C=Cc3ccccc3

Chemical ID:

6649972

Name [?]:

[4-[[2-(4-methylphenoxy)acetyl]aminoiminomethyl]phenyl] 3-phenylprop-2-enoate

SMILES [?]:

Cc1ccc(cc1)OCC(=O)NN=Cc2ccc(cc2)OC(=O)C=Cc3ccccc3

InChi [?]:

InChI=1/C25H22N2O4/c1-19-7-12-22(13-8-19)30-18-24(28)27-26-17-21-9-14-23(15-10-21)31-25(29)16-11-20-5-3-2-4-6-20/h2-17H,18H2,1H3,(H,27,28)

InChi Info:

AuxInfo=1/1/N:1,29,28,30,27,31,3,7,16,20,25,4,6,17,19,24,14,9,2,26,15,5,18,10,22,13,12,11,23,8,21/E:(3,4)(5,6)(7,8)(9,10)(12,13)(14,15)/rA:31nCCCCCCCOCCONNCCCCCCCOCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s18;s21;d22;s22;w24;s25;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₂N₂O₄
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	9.94922
Area:	670.47
Solvation:	-6.81252
Coulombic:	-46.3042

Bond Count [?]

All:	33
Single:	20
Double:	13
Rotors:	10
Chiral:	2
Rigid Segments:	8

Chemical Properties

Molecular Weight:	414.453
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	5.89
LogP (Chemaxon):	5.3

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

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Chemical Mix	Source	External ID	Descriptor	Value