Chemical ID: 4844595

Cc1ccc(cc1C)n2c3cccc(c3cc-4c(=O)[nH]c(=O)nc24)Cl
Chemical ID:
4844595
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1C)n2c3cccc(c3cc-4c(=O)[nH]c(=O)nc24)Cl
InChi [?]:
InChI=1/C19H14ClN3O2/c1-10-6-7-12(8-11(10)2)23-16-5-3-4-15(20)13(16)9-14-17(23)21-19(25)22-18(14)24/h3-9H,1-2H3,(H,22,24,25)
InChi Info:
AuxInfo=1/1/N:1,8,12,13,11,3,4,6,16,2,7,5,15,17,14,10,24,18,21,25,23,20,9,19,22/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;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H14ClN3O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.7796
Area:521.954
Solvation:-2.26921
Coulombic:-45.7322
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