Chemical ID: 4893743

c1c2c(nc(c1C#N)Cl)CCC2
Chemical ID:
4893743
Name [?]:
4-chloro-5-azabicyclo[4.3.0]nona-2,4,10-triene-3-carbonitrile
SMILES [?]:
c1c2c(nc(c1C#N)Cl)CCC2
InChi [?]:
InChI=1/C9H7ClN2/c10-9-7(5-11)4-6-2-1-3-8(6)12-9/h4H,1-3H2
InChi Info:
AuxInfo=1/0/N:11,12,10,1,7,2,6,3,5,9,8,4/rA:12nCCCNCCCNClCCC/rB:s1;d2;s3;d4;d1s5;s6;t7;s5;s3;s10;s2s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H7ClN2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:7.21155
Area:337.076
Solvation:-1.21535
Coulombic:-9.13564
Bond Count [?]
All:13
Single:9
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:178.618
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.55
LogP (Chemaxon):2.2

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Descriptor Annotations

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