Chemical ID: 4216449

c1ccn2cc(nc2c1)c3ccc(cc3)Cl
Chemical ID:
4216449
Name [?]:
8-(4-chlorophenyl)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene
SMILES [?]:
c1ccn2cc(nc2c1)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C13H9ClN2/c14-11-6-4-10(5-7-11)12-9-16-8-2-1-3-13(16)15-12/h1-9H
InChi Info:
AuxInfo=1/0/N:1,2,9,11,15,12,14,3,5,10,13,6,8,16,7,4/E:(4,5)(6,7)/rA:16nCCCNCCNCCCCCCCCCl/rB:s1;d2;s3;s4;d5;s6;s4d7;d1s8;s6;s10;d11;s12;d13;d10s14;s13;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H9ClN2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.46591
Area:402.603
Solvation:-1.59916
Coulombic:-13.146
Bond Count [?]
All:18
Single:11
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:228.677
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.57
LogP (Chemaxon):3.94

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Descriptor Annotations

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