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Chemical ID: 7089548

Chemical ID:

7089548

Name [?]:

8-(4-fluorophenyl)-4-methyl-6,9-diazabicyclo[4.3.0]nona-2,4,7,9-tetraene-7-carbaldehyde

SMILES [?]:

Cc1ccc2nc(c(n2c1)C=O)c3ccc(cc3)F

InChi [?]:

InChI=1/C15H11FN2O/c1-10-2-7-14-17-15(13(9-19)18(14)8-10)11-3-5-12(16)6-4-11/h2-9H,1H3

InChi Info:

AuxInfo=1/0/N:1,3,14,18,15,17,4,10,11,2,13,16,8,5,7,19,6,9,12/E:(3,4)(5,6)/rA:19nCCCCCNCCNCCOCCCCCCF/rB:s1;s2;d3;s4;d5;s6;d7;s5s8;d2s9;s8;d11;s7;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₁FN₂O
All Atoms:	30
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	7.07159
Area:	414.642
Solvation:	-3.29446
Coulombic:	-23.567

Bond Count [?]

All:	21
Single:	13
Double:	8
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	254.259
H-Bond Donors:	0
H-Bond Acceptors:	1
XLogP:	2.96
LogP (Chemaxon):	3.47

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value