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Chemical ID: 5498815

Chemical ID:

5498815

Name [?]:

N-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-ylmethyleneamino)-2,5-dimethyl-furan-3-carboxamide

SMILES [?]:

Cc1cc(c(o1)C)C(=O)NN=Cc2ccc3c(c2)OCCO3

InChi [?]:

InChI=1/C16H16N2O4/c1-10-7-13(11(2)22-10)16(19)18-17-9-12-3-4-14-15(8-12)21-6-5-20-14/h3-4,7-9H,5-6H2,1-2H3,(H,18,19)

InChi Info:

AuxInfo=1/1/N:1,7,14,15,21,20,3,18,12,2,5,13,4,16,17,8,11,10,9,22,19,6/rA:22nCCCCCOCCONNCCCCCCCOCCO/rB:s1;d2;s3;d4;s2s5;s5;s4;d8;s8;s10;w11;s12;s13;d14;s15;d16;d13s17;s17;s19;s20;s16s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₆N₂O₄
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	6.95915
Area:	491.834
Solvation:	-5.3367
Coulombic:	-40.5285

Bond Count [?]

All:	24
Single:	17
Double:	7
Rotors:	4
Chiral:	1
Rigid Segments:	4

Chemical Properties

Molecular Weight:	300.309
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	2.69
LogP (Chemaxon):	1.77

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value