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Chemical ID: 4215021

Chemical ID:

4215021

Name [?]:

8-(4-chlorophenyl)-4-methyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene

SMILES [?]:

Cc1ccn2cc(nc2c1)c3ccc(cc3)Cl

InChi [?]:

InChI=1/C14H11ClN2/c1-10-6-7-17-9-13(16-14(17)8-10)11-2-4-12(15)5-3-11/h2-9H,1H3

InChi Info:

AuxInfo=1/0/N:1,12,16,13,15,3,4,10,6,2,11,14,7,9,17,8,5/E:(2,3)(4,5)/rA:17nCCCCNCCNCCCCCCCCCl/rB:s1;s2;d3;s4;s5;d6;s7;s5d8;d2s9;s7;s11;d12;s13;d14;d11s15;s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₁ClN₂
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	0

ZAP Information [?]

Total:	8.95565
Area:	421.682
Solvation:	-1.5864
Coulombic:	-12.9845

Bond Count [?]

All:	19
Single:	12
Double:	7
Rotors:	1
Chiral:	0
Rigid Segments:	2

Chemical Properties

Molecular Weight:	242.703
H-Bond Donors:	0
H-Bond Acceptors:	0
XLogP:	3.92
LogP (Chemaxon):	4.41

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value