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Chemical ID: 7090001

Chemical ID:

7090001

Name [?]:

8-(3-methoxyphenyl)-4-methyl-6,9-diazabicyclo[4.3.0]nona-2,4,7,9-tetraene-7-carbaldehyde

SMILES [?]:

Cc1ccc2nc(c(n2c1)C=O)c3cccc(c3)OC

InChi [?]:

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

InChi Info:

AuxInfo=1/0/N:1,20,15,14,16,3,4,18,10,11,2,13,17,8,5,7,6,9,12,19/rA:20nCCCCCNCCNCCOCCCCCCOC/rB:s1;s2;d3;s4;d5;s6;d7;s5s8;d2s9;s8;d11;s7;s13;d14;s15;d16;d13s17;s17;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	7.23922
Area:	445.081
Solvation:	-3.8878
Coulombic:	-26.7167

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