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Chemical ID: 4952710
Chemical ID:
4952710
Name [?]:
None
SMILES [?]:
CN1CCc2cc3c(c-4c2C1Cc5c4c(c(cc5)OC)O)OCO3
InChi [?]:
InChI=1/C19H19NO4/c1-20-6-5-11-8-14-19(24-9-23-14)17-15(11)12(20)7-10-3-4-13(22-2)18(21)16(10)17/h3-4,8,12,21H,5-7,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,18,17,4,3,12,6,23,13,5,11,16,7,10,14,9,15,8,2,21,19,24,22/rA:24cCNCCCCCCCCCCCCCCCCOCOOCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s2s10;s11;s12;s9s13;d14;s15;d16;d13s17;s16;s19;s15;s8;s22;s7s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19NO4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.07979 |
Area: | 457.582 |
Solvation: | -5.35975 |
Coulombic: | -43.0773 |
Bond Count [?]
All: | 28 |
Single: | 22 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 325.358 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.77 |
LogP (Chemaxon): | 2.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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