Chemical ID: 6918764

CN1CCc2cc(c(c-3c2C1Cc4c3cc(c(c4)OC)O)O)OC
Chemical ID:
6918764
Name [?]:
None
SMILES [?]:
CN1CCc2cc(c(c-3c2C1Cc4c3cc(c(c4)OC)O)O)OC
InChi [?]:
InChI=1/C19H21NO4/c1-20-5-4-10-7-16(24-3)19(22)18-12-9-14(21)15(23-2)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,20,24,4,3,12,6,18,15,5,13,14,11,16,17,7,10,9,8,2,21,22,19,23/rA:24cCNCCCCCCCCCCCCCCCCOCOOOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s2s10;s11;s12;s9s13;d14;s15;d16;d13s17;s17;s19;s16;s8;s7;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H21NO4
All Atoms:45
Heavy Atoms:24
Chiral Atoms:2
ZAP Information [?]
Total:5.76434
Area:487.76
Solvation:-6.42966
Coulombic:-50.9693
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

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Experimental Annotations

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Descriptor Annotations

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