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Chemical ID: 6622709

Chemical ID:

6622709

Name [?]:

N-phenyl-3-(5-phenyl-2-furyl)-prop-2-enamide

SMILES [?]:

c1ccc(cc1)c2ccc(o2)C=CC(=O)Nc3ccccc3

InChi [?]:

InChI=1/C19H15NO2/c21-19(20-16-9-5-2-6-10-16)14-12-17-11-13-18(22-17)15-7-3-1-4-8-15/h1-14H,(H,20,21)

InChi Info:

AuxInfo=1/1/N:1,20,2,6,19,21,3,5,18,22,9,12,8,13,4,17,10,7,14,16,15,11/E:(3,4)(5,6)(7,8)(9,10)/rA:22nCCCCCCCCCCOCCCONCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s7s10;s10;w12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₅NO₂
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	8.55222
Area:	491.147
Solvation:	-3.72644
Coulombic:	-29.3098

Bond Count [?]

All:	24
Single:	14
Double:	10
Rotors:	5
Chiral:	1
Rigid Segments:	5

Chemical Properties

Molecular Weight:	289.328
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	3.92
LogP (Chemaxon):	4.09

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value