Chemical ID: 4268470

c1ccc2c(c1)c(n[nH]c2=O)c3ccc(c(c3)[N+](=O)[O-])N
Chemical ID:
4268470
Name [?]:
4-(4-amino-3-nitro-phenyl)-2H-phthalazin-1-one
SMILES [?]:
c1ccc2c(c1)c(n[nH]c2=O)c3ccc(c(c3)[N+](=O)[O-])N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C14H10N4O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:3.93052
Area:451.267
Solvation:-7.35114
Coulombic:-50.0672
Bond Count [?]
All:23
Single:14
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:282.254
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.43
LogP (Chemaxon):2.77

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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