Chemical ID: 5219743

c1ccc2c(c1)c(c3ccc(cc3n2)[N+](=O)[O-])Cl
Chemical ID:
5219743
Name [?]:
9-chloro-3-nitro-acridine
SMILES [?]:
c1ccc2c(c1)c(c3ccc(cc3n2)[N+](=O)[O-])Cl
InChi [?]:
InChI=1/C13H7ClN2O2/c14-13-9-3-1-2-4-11(9)15-12-7-8(16(17)18)5-6-10(12)13/h1-7H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,10,9,12,11,5,8,4,13,7,18,14,15,16,17/E:(17,18)/CRV:16.5/rA:18nCCCCCCCCCCCCCNN+OO-Cl/rB:s1;d2;s3;s4;d1s5;d5;s7;s8;d9;s10;d11;d8s12;d4s13;s11;d15;s15;s7;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H7ClN2O2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:3.89416
Area:414.989
Solvation:-6.48057
Coulombic:-18.2788
Bond Count [?]
All:20
Single:12
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:258.66
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.87
LogP (Chemaxon):4.01

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