Chemical ID: 6605340

Cc1ccc(cc1C)c2cn3cc(ccc3n2)Cl
Chemical ID:
6605340
Name [?]:
3-chloro-8-(3,4-dimethylphenyl)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene
SMILES [?]:
Cc1ccc(cc1C)c2cn3cc(ccc3n2)Cl
InChi [?]:
InChI=1/C15H13ClN2/c1-10-3-4-12(7-11(10)2)14-9-18-8-13(16)5-6-15(18)17-14/h3-9H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,3,4,14,15,6,12,10,2,7,5,13,9,16,18,17,11/rA:18nCCCCCCCCCCNCCCCCNCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s10;s11;d12;s13;d14;s11s15;s9d16;s13;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13ClN2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.56094
Area:442.523
Solvation:-1.50214
Coulombic:-13.0207
Bond Count [?]
All:20
Single:13
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:256.73
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.36
LogP (Chemaxon):4.88

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