ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7657177

Chemical ID:

7657177

Name [?]:

None

SMILES [?]:

c1ccc(cc1)C2N=C(C(=N2)c3ccccc3)c4ccccc4

InChi [?]:

InChI=1/C21H16N2/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23-21(22-19)18-14-8-3-9-15-18/h1-15,21H

InChi Info:

AuxInfo=1/0/N:15,21,1,14,16,20,22,2,6,13,17,19,23,3,5,12,18,4,10,9,7,11,8/E:(1,2)(4,5,6,7)(8,9)(10,11,12,13)(14,15)(16,17)(19,20)(22,23)/rA:23nCCCCCCCNCCNCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s7d10;s10;s12;d13;s14;d15;d12s16;s9;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₁₆N₂
All Atoms:	39
Heavy Atoms:	23
Chiral Atoms:	None

ZAP Information [?]

Total:	10.8467
Area:	495.569
Solvation:	-1.54252
Coulombic:	-18.4203

Bond Count [?]

All:	26
Single:	15
Double:	11
Rotors:	3
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	5.27
LogP (Chemaxon):	None

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