Chemical ID: 7620892

CCC1(c2cc-3n(c(=O)c2COC1=O)Cc4c3[nH]c-5cccc(=O)c5c4)O
Chemical ID:
7620892
Name [?]:
None
SMILES [?]:
CCC1(c2cc-3n(c(=O)c2COC1=O)Cc4c3[nH]c-5cccc(=O)c5c4)O
InChi [?]:
InChI=1/C20H16N2O5/c1-2-20(26)13-7-15-17-10(6-11-14(21-17)4-3-5-16(11)23)8-22(15)18(24)12(13)9-27-19(20)25/h3-7,21,26H,2,8-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,21,20,22,26,5,15,11,16,25,10,4,19,6,23,17,8,13,3,18,7,24,9,14,27,12/rA:27cCCCCCCNCOCCOCOCCCNCCCCCOCCO/rB:s1;s2;s3;s4;d5;s6;s7;d8;d4s8;s10;s11;s3s12;d13;s7;s15;s6d16;s17;s18;d19;s20;d21;s22;d23;s19s23;s16d25;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H16N2O5
All Atoms:43
Heavy Atoms:27
Chiral Atoms:None
ZAP Information [?]
Total:8.38495
Area:524.329
Solvation:-4.72327
Coulombic:-72.3788
Bond Count [?]
All:31
Single:22
Double:9
Rotors:1
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:-0.01
LogP (Chemaxon):None

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