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Chemical ID: 4911979

Chemical ID:

4911979

Name [?]:

2-isopropenyl-4,6-diphenoxy-1,3,5-triazine

SMILES [?]:

CC(=C)c1nc(nc(n1)Oc2ccccc2)Oc3ccccc3

InChi [?]:

InChI=1/C18H15N3O2/c1-13(2)16-19-17(22-14-9-5-3-6-10-14)21-18(20-16)23-15-11-7-4-8-12-15/h3-12H,1H2,2H3

InChi Info:

AuxInfo=1/0/N:3,1,14,21,13,15,20,22,12,16,19,23,2,11,18,4,8,6,9,5,7,10,17/E:(3,4)(5,6,7,8)(9,10,11,12)(14,15)(17,18)(19,20)(22,23)/rA:23nCCCCNCNCNOCCCCCCOCCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;s10;s11;d12;s13;d14;d11s15;s6;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₅N₃O₂
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	10.9993
Area:	512.777
Solvation:	-1.82017
Coulombic:	-42.3604

Bond Count [?]

All:	25
Single:	15
Double:	10
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	305.331
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	4.06
LogP (Chemaxon):	5.75

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