Chemical ID: 7088228

Cc1c(n2cc(ccc2n1)Cl)C=O
Chemical ID:
7088228
Name [?]:
3-chloro-8-methyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene-9-carbaldehyde
SMILES [?]:
Cc1c(n2cc(ccc2n1)Cl)C=O
InChi [?]:
InChI=1/C9H7ClN2O/c1-6-8(5-13)12-4-7(10)2-3-9(12)11-6/h2-5H,1H3
InChi Info:
AuxInfo=1/0/N:1,7,8,5,12,2,6,3,9,11,10,4,13/rA:13nCCCNCCCCCNClCO/rB:s1;d2;s3;s4;d5;s6;d7;s4s8;s2d9;s6;s3;d12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H7ClN2O
All Atoms:20
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.37153
Area:346.352
Solvation:-2.28727
Coulombic:-18.5514
Bond Count [?]
All:14
Single:9
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:194.617
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.48
LogP (Chemaxon):1.47

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