Chemical ID: 6424183

CN1CCc2cc(c(c-3c2C1Cc4c3cc(c(c4)O)OC)O)OC
Chemical ID:
6424183
Name [?]:
None
SMILES [?]:
CN1CCc2cc(c(c-3c2C1Cc4c3cc(c(c4)O)OC)O)OC
InChi [?]:
InChI=1/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,21,24,4,3,12,18,6,15,5,13,14,11,17,16,7,10,9,8,2,19,22,20,23/rA:24cCNCCCCCCCCCCCCCCCCOOCOOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s2s10;s11;s12;s9s13;d14;s15;d16;d13s17;s17;s16;s20;s8;s7;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H21NO4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:2
ZAP Information [?]
Total:5.87554
Area:475.665
Solvation:-6.0161
Coulombic:-51.4241
Bond Count [?]
All:27
Single:21
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:327.374
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.1
LogP (Chemaxon):2.58

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