Chemical ID: 6654456

c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])NN=C2C3CC4(CC2CC(C3)(C4)Br)Br
Chemical ID:
6654456
Name [?]:
N-[(5,7-dibromo-2-adamantylidene)amino]-2,4-dinitro-aniline
SMILES [?]:
c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])NN=C2C3CC4(CC2CC(C3)(C4)Br)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H16Br2N4O4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:1.06727
Area:560.506
Solvation:-12.9454
Coulombic:-29.4256
Bond Count [?]
All:29
Single:23
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:488.131
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:5.45
LogP (Chemaxon):4.84

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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