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Chemical ID: 7145898

Chemical ID:

7145898

Name [?]:

N-(2,4-dimethylphenyl)-5-nitro-pyridin-2-amine

SMILES [?]:

Cc1ccc(c(c1)C)Nc2ccc(cn2)[N+](=O)[O-]

InChi [?]:

InChI=1/C13H13N3O2/c1-9-3-5-12(10(2)7-9)15-13-6-4-11(8-14-13)16(17)18/h3-8H,1-2H3,(H,14,15)

InChi Info:

AuxInfo=1/1/N:1,8,3,12,4,11,7,14,2,6,13,5,10,15,9,16,17,18/E:(17,18)/CRV:16.5/rA:18nCCCCCCCCNCCCCCNN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;d11;s12;d13;d10s14;s13;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₁₃N₃O₂
All Atoms:	31
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	4.00725
Area:	429.791
Solvation:	-6.73754
Coulombic:	-28.5755

Bond Count [?]

All:	19
Single:	12
Double:	7
Rotors:	3
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	243.261
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.14
LogP (Chemaxon):	3.57

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