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Chemical ID: 7097093

Chemical ID:

7097093

Name [?]:

3-(2-furyl)-N-[4-(5-methyl-2-furyl)phenyl]-prop-2-enamide

SMILES [?]:

Cc1ccc(o1)c2ccc(cc2)NC(=O)C=Cc3ccco3

InChi [?]:

InChI=1/C18H15NO3/c1-13-4-10-17(22-13)14-5-7-15(8-6-14)19-18(20)11-9-16-3-2-12-21-16/h2-12H,1H3,(H,19,20)

InChi Info:

AuxInfo=1/1/N:1,20,19,3,8,12,9,11,17,4,16,21,2,7,10,18,5,14,13,15,22,6/E:(5,6)(7,8)/rA:22nCCCCCOCCCCCCNCOCCCCCCO/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s9;d10;d7s11;s10;s13;d14;s14;w16;s17;d18;s19;d20;s18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₅NO₃
All Atoms:	37
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	9.04774
Area:	517.96
Solvation:	-3.90126
Coulombic:	-35.0913

Bond Count [?]

All:	24
Single:	15
Double:	9
Rotors:	5
Chiral:	1
Rigid Segments:	5

Chemical Properties

Molecular Weight:	293.317
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	2.84
LogP (Chemaxon):	3.29

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