Chemical ID: 4590574

Cc1nnc2n1nc(cc2)Cl
Chemical ID:
4590574
Name [?]:
4-chloro-7-methyl-5,6,8,9-tetrazabicyclo[4.3.0]nona-2,4,7,9-tetraene
SMILES [?]:
Cc1nnc2n1nc(cc2)Cl
InChi [?]:
InChI=1/C6H5ClN4/c1-4-8-9-6-3-2-5(7)10-11(4)6/h2-3H,1H3
InChi Info:
AuxInfo=1/0/N:1,9,10,2,8,5,11,3,4,7,6/rA:11nCCNNCNNCCCCl/rB:s1;d2;s3;d4;s2s5;s6;d7;s8;s5d9;s8;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H5ClN4
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:6.40582
Area:312.063
Solvation:-1.39576
Coulombic:-10.119
Bond Count [?]
All:12
Single:8
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:168.584
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.02
LogP (Chemaxon):0.77

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Descriptor Annotations

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