ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7656220

Chemical ID:

7656220

Name [?]:

None

SMILES [?]:

CC(c1nc2cc(ccc2n1Cc3ccccc3)Cl)Cl

InChi [?]:

InChI=1/C16H14Cl2N2/c1-11(17)16-19-14-9-13(18)7-8-15(14)20(16)10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3

InChi Info:

AuxInfo=1/0/N:1,16,15,17,14,18,8,9,6,12,2,13,7,5,10,3,20,19,4,11/E:(3,4)(5,6)/rA:20cCCCNCCCCCCNCCCCCCCClCl/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;s3s10;s11;s12;s13;d14;s15;d16;d13s17;s7;s2;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₄Cl₂N₂
All Atoms:	34
Heavy Atoms:	20
Chiral Atoms:	None

ZAP Information [?]

Total:	9.9904
Area:	476.415
Solvation:	-1.91997
Coulombic:	-14.9651

Bond Count [?]

All:	22
Single:	15
Double:	7
Rotors:	3
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.72
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