Chemical ID: 7573877

CCC1(c2cc-3n(c(=O)c2COC1=O)Cc4c3nc5ccccc5c4)[O-]
Chemical ID:
7573877
Name [?]:
None
SMILES [?]:
CCC1(c2cc-3n(c(=O)c2COC1=O)Cc4c3nc5ccccc5c4)[O-]
InChi [?]:
InChI=1/C20H15N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8H,2,9-10H2,1H3/q-1
InChi Info:
AuxInfo=1/0/N:1,2,22,21,23,20,25,5,15,11,24,16,10,4,19,6,17,8,13,3,18,7,9,14,26,12/CRV:25-1/rA:26cCCCCCCNCOCCOCOCCCNCCCCCCCO-/rB:s1;s2;s3;s4;d5;s6;s7;d8;d4s8;s10;s11;s3s12;d13;s7;s15;s6s16;d17;s18;s19;d20;s21;d22;d19s23;d16s24;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H15N2O4-
All Atoms:41
Heavy Atoms:26
Chiral Atoms:None
ZAP Information [?]
Total:-28.8754
Area:513.123
Solvation:-41.7035
Coulombic:-34.6764
Bond Count [?]
All:30
Single:21
Double:9
Rotors:1
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.44
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