Chemical ID: 6916375

CC(C)(C)n1c2c(c([nH+]1)c3ccc(cc3)Cl)c(ncn2)N
Chemical ID:
6916375
Name [?]:
7-(4-chlorophenyl)-9-tert-butyl-2,4,9-triaza-8-azoniabicyclo[4.3.0]nona-1,3,5,7-tetraen-5-amine
SMILES [?]:
CC(C)(C)n1c2c(c([nH+]1)c3ccc(cc3)Cl)c(ncn2)N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C15H17ClN5+
All Atoms:38
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:-19.6995
Area:479.962
Solvation:-31.6985
Coulombic:-19.527
Bond Count [?]
All:23
Single:16
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:302.782
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:3.81
LogP (Chemaxon):3.36

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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