Chemical ID: 4853892

Cc1ccc(cc1C)n2c3cc(ccc3cc-4c(=O)[nH]c(=O)nc24)Cl
Chemical ID:
4853892
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1C)n2c3cc(ccc3cc-4c(=O)[nH]c(=O)nc24)Cl
InChi [?]:
InChI=1/C19H14ClN3O2/c1-10-3-6-14(7-11(10)2)23-16-9-13(20)5-4-12(16)8-15-17(23)21-19(25)22-18(15)24/h3-9H,1-2H3,(H,22,24,25)
InChi Info:
AuxInfo=1/1/N:1,8,3,14,13,4,6,16,11,2,7,15,12,5,17,10,24,18,21,25,23,20,9,19,22/rA:25nCCCCCCCCNCCCCCCCCCONCONCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;d11;s12;d13;d10s14;s15;d16;s17;d18;s18;s20;d21;s21;s9s17d23;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H14ClN3O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.814
Area:526.041
Solvation:-2.33707
Coulombic:-45.5595
Bond Count [?]
All:28
Single:18
Double:10
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:351.786
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.01
LogP (Chemaxon):5.03

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