ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 4383544

Chemical ID:

4383544

Name [?]:

None

SMILES [?]:

c1ccc2c(c1)nc3c(n2)C4=CC=CC5=CC=CC3C54

InChi [?]:

InChI=1/C18H12N2/c1-2-10-15-14(9-1)19-17-12-7-3-5-11-6-4-8-13(16(11)12)18(17)20-15/h1-10,12,16H

InChi Info:

AuxInfo=1/0/N:1,2,17,13,16,14,18,12,6,3,15,19,11,5,4,20,8,9,7,10/rA:20cCCCCCCNCCNCCCCCCCCCC/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s9;d11;s12;d13;s14;d15;s16;d17;s8s18;s11s15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₂N₂
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	2

ZAP Information [?]

Total:	8.93849
Area:	415.184
Solvation:	-1.44111
Coulombic:	-14.3987

Bond Count [?]

All:	24
Single:	15
Double:	9
Rotors:	0
Chiral:	0
Rigid Segments:	1

Chemical Properties

Molecular Weight:	256.301
H-Bond Donors:	0
H-Bond Acceptors:	0
XLogP:	2.77
LogP (Chemaxon):	2.72

Name Annotations

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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