ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7682227

Chemical ID:

7682227

Name [?]:

None

SMILES [?]:

c1cc2cccc3c2c(c1)C4=NCCN=C34

InChi [?]:

InChI=1/C14H10N2/c1-3-9-4-2-6-11-12(9)10(5-1)13-14(11)16-8-7-15-13/h1-6H,7-8H2

InChi Info:

AuxInfo=1/0/N:1,5,2,4,10,6,13,14,3,9,7,8,11,16,12,15/E:(1,2)(3,4)(5,6)(7,8)(10,11)(13,14)(15,16)/rA:16nCCCCCCCCCCCNCCNC/rB:s1;d2;s3;d4;s5;d6;s3s7;d8;d1s9;s9;d11;s12;s13;s14;s7s11d15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₀N₂
All Atoms:	26
Heavy Atoms:	16
Chiral Atoms:	None

ZAP Information [?]

Total:	7.15963
Area:	359.591
Solvation:	-1.83014
Coulombic:	-13.2369

Bond Count [?]

All:	19
Single:	12
Double:	7
Rotors:	0
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.64
LogP (Chemaxon):	None

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

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