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Chemical ID: 6918764
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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