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Chemical ID: 4389790

Chemical ID:

4389790

Name [?]:

8-(4-fluorophenyl)-5-methyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene

SMILES [?]:

Cc1cccn2c1nc(c2)c3ccc(cc3)F

InChi [?]:

InChI=1/C14H11FN2/c1-10-3-2-8-17-9-13(16-14(10)17)11-4-6-12(15)7-5-11/h2-9H,1H3

InChi Info:

AuxInfo=1/0/N:1,4,3,12,16,13,15,5,10,2,11,14,9,7,17,8,6/E:(4,5)(6,7)/rA:17nCCCCCNCNCCCCCCCCF/rB:s1;d2;s3;d4;s5;s2s6;d7;s8;s6d9;s9;s11;d12;s13;d14;d11s15;s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₁FN₂
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	0

ZAP Information [?]

Total:	7.37822
Area:	392.255
Solvation:	-2.42815
Coulombic:	-16.0379

Bond Count [?]

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

Chemical Properties

Molecular Weight:	226.249
H-Bond Donors:	0
H-Bond Acceptors:	0
XLogP:	3.25
LogP (Chemaxon):	4.03

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