ChemDB: Chemical Search
Download
Chemical ID: 5219743
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.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|