ChemicalDetail: Details for an Individual Chemical

Download

Chemical ID: 7714267

Chemical ID:

7714267

Name [?]:

None

SMILES [?]:

Cc1c(nc2n1cccc2)c3ccc(cc3)C#N

InChi [?]:

InChI=1/C15H11N3/c1-11-15(13-7-5-12(10-16)6-8-13)17-14-4-2-3-9-18(11)14/h2-9H,1H3

InChi Info:

AuxInfo=1/0/N:1,9,8,10,13,15,12,16,7,17,2,14,11,5,3,18,4,6/E:(5,6)(7,8)/rA:18nCCCNCNCCCCCCCCCCCN/rB:s1;d2;s3;d4;s2s5;s6;d7;s8;s5d9;s3;s11;d12;s13;d14;d11s15;s14;t17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₁N₃
All Atoms:	29
Heavy Atoms:	18
Chiral Atoms:	None

ZAP Information [?]

Total:	8.63191
Area:	424.263
Solvation:	-1.97467
Coulombic:	-15.7348

Bond Count [?]

All:	20
Single:	12
Double:	7
Rotors:	1
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.9
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

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

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