Chemical ID: 6361197

c1cnc(nc1)N2CCN(CC2)C(=O)c3ccc(cc3[N+](=O)[O-])Cl
Chemical ID:
6361197
Name [?]:
(4-chloro-2-nitro-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)-methanone
SMILES [?]:
c1cnc(nc1)N2CCN(CC2)C(=O)c3ccc(cc3[N+](=O)[O-])Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C15H14ClN5O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:2.99242
Area:523.452
Solvation:-10.0939
Coulombic:-42.4336
Bond Count [?]
All:26
Single:18
Double:8
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:347.756
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:2.21
LogP (Chemaxon):2.16

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue