ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7660468

Chemical ID:

7660468

Name [?]:

None

SMILES [?]:

c1ccc(cc1)C(=O)NCC#CC#CCNC(=O)c2ccccc2

InChi [?]:

InChI=1/C20H16N2O2/c23-19(17-11-5-3-6-12-17)21-15-9-1-2-10-16-22-20(24)18-13-7-4-8-14-18/h3-8,11-14H,15-16H2,(H,21,23)(H,22,24)

InChi Info:

AuxInfo=1/1/N:12,13,1,22,2,6,21,23,11,14,3,5,20,24,10,15,4,19,7,17,9,16,8,18/E:(1,2)(3,4)(5,6,7,8)(9,10)(11,12,13,14)(15,16)(17,18)(19,20)(21,22)(23,24)/gE:(1,2)/rA:24nCCCCCCCONCCCCCCNCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;t11;s12;t13;s14;s15;s16;d17;s17;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₆N₂O₂
All Atoms:	40
Heavy Atoms:	24
Chiral Atoms:	None

ZAP Information [?]

Total:	12.35
Area:	603.433
Solvation:	-2.73577
Coulombic:	-47.1399

Bond Count [?]

All:	25
Single:	15
Double:	8
Rotors:	6
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.63
LogP (Chemaxon):	None

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