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Chemical ID: 7090004

Chemical ID:

7090004

Name [?]:

8-(4-methoxyphenyl)-5-methyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene-9-carbaldehyde

SMILES [?]:

Cc1cccn2c1nc(c2C=O)c3ccc(cc3)OC

InChi [?]:

InChI=1/C16H14N2O2/c1-11-4-3-9-18-14(10-19)15(17-16(11)18)12-5-7-13(20-2)8-6-12/h3-10H,1-2H3

InChi Info:

AuxInfo=1/0/N:1,20,4,3,14,18,15,17,5,11,2,13,16,10,9,7,8,6,12,19/E:(5,6)(7,8)/rA:20nCCCCCNCNCCCOCCCCCCOC/rB:s1;d2;s3;d4;s5;s2s6;d7;s8;s6d9;s10;d11;s9;s13;d14;s15;d16;d13s17;s16;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₄N₂O₂
All Atoms:	34
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	7.22884
Area:	443.565
Solvation:	-3.86028
Coulombic:	-26.9432

Bond Count [?]

All:	22
Single:	14
Double:	8
Rotors:	3
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	266.295
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	2.71
LogP (Chemaxon):	3.08

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

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Chemical Mix	Source	External ID	Descriptor	Value