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Chemical ID: 5175955

Chemical ID:

5175955

Name [?]:

trimethyl-[4-(2-pyridylazo)phenyl]-ammonium

SMILES [?]:

C[N+](C)(C)c1ccc(cc1)N=Nc2ccccn2

InChi [?]:

InChI=1/C14H17N4/c1-18(2,3)13-9-7-12(8-10-13)16-17-14-6-4-5-11-15-14/h4-11H,1-3H3/q+1

InChi Info:

AuxInfo=1/0/N:1,3,4,15,16,14,7,9,6,10,17,8,5,13,18,11,12,2/E:(1,2,3)(7,8)(9,10)/CRV:18+1/rA:18nCN+CCCCCCCCNNCCCCCN/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;w11;s12;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₇N₄₊
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	-19.9094
Area:	414.851
Solvation:	-30.2807
Coulombic:	15.5044

Bond Count [?]

All:	19
Single:	12
Double:	7
Rotors:	3
Chiral:	1
Rigid Segments:	4

Chemical Properties

Molecular Weight:	241.312
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	1.95
LogP (Chemaxon):	-0.55

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