Chemical ID: 4906413

c1cc2c3ccnn3nnc2cc1Cl
Chemical ID:
4906413
Name [?]:
None
SMILES [?]:
c1cc2c3ccnn3nnc2cc1Cl
InChi [?]:
InChI=1/C9H5ClN4/c10-6-1-2-7-8(5-6)12-13-14-9(7)3-4-11-14/h1-5H
InChi Info:
AuxInfo=1/0/N:1,2,5,6,12,13,3,11,4,14,7,10,9,8/rA:14nCCCCCCNNNNCCCCl/rB:s1;d2;s3;d4;s5;d6;s4s7;s8;d9;s3s10;d11;d1s12;s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H5ClN4
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.4766
Area:352.788
Solvation:-2.34311
Coulombic:-3.59079
Bond Count [?]
All:16
Single:10
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:204.616
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.66
LogP (Chemaxon):2.41

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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