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Chemical ID: 4517970

Chemical ID:

4517970

Name [?]:

4-[2-(1H-benzoimidazol-2-yl)vinyl]aniline

SMILES [?]:

c1ccc2c(c1)[nH]c(n2)C=Cc3ccc(cc3)N

InChi [?]:

InChI=1/C15H13N3/c16-12-8-5-11(6-9-12)7-10-15-17-13-3-1-2-4-14(13)18-15/h1-10H,16H2,(H,17,18)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,13,17,11,14,16,10,12,15,5,4,8,18,7,9/E:(1,2)(3,4)(5,6)(8,9)(13,14)(17,18)/rA:18nCCCCCCNCNCCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s5;s7;s4d8;s8;w10;s11;s12;d13;s14;d15;d12s16;s15;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₃N₃
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	8.2908
Area:	405.164
Solvation:	-1.83829
Coulombic:	-34.9462

Bond Count [?]

All:	20
Single:	12
Double:	8
Rotors:	2
Chiral:	1
Rigid Segments:	3

Chemical Properties

Molecular Weight:	235.284
H-Bond Donors:	2
H-Bond Acceptors:	1
XLogP:	2.72
LogP (Chemaxon):	3.37

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