Chemical ID: 4799223

c1cc(c(cc1C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCO)Br)Cl)Cl
Chemical ID:
4799223
Name [?]:
None
SMILES [?]:
c1cc(c(cc1C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCO)Br)Cl)Cl
InChi [?]:
InChI=1/C19H12BrCl2NO4/c20-10-2-4-14-11(8-10)17(25)15-16(9-1-3-12(21)13(22)7-9)23(5-6-24)19(26)18(15)27-14/h1-4,7-8,16,24H,5-6H2
InChi Info:
AuxInfo=1/0/N:1,14,2,15,22,23,5,12,6,13,11,3,4,16,8,7,9,18,19,25,27,26,21,24,10,20,17/rA:27cCCCCCCCCCOCCCCCCOCCONCCOBrClCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;d8s17;s18;d19;s7s19;s21;s22;s23;s13;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H12BrCl2NO4
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:10.8193
Area:590.249
Solvation:-3.93696
Coulombic:-52.3987
Bond Count [?]
All:30
Single:21
Double:9
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:469.112
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.75
LogP (Chemaxon):4.04

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