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Chemical ID: 4560833
Chemical ID:
4560833
Name [?]:
None
SMILES [?]:
COc1ccc2c(c1)c3c([nH]2)C(NCC3)c4ccccc4OC
InChi [?]:
InChI=1/C19H20N2O2/c1-22-12-7-8-16-15(11-12)13-9-10-20-18(19(13)21-16)14-5-3-4-6-17(14)23-2/h3-8,11,18,20-21H,9-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,18,19,17,20,4,5,15,14,8,3,9,16,7,6,21,12,10,13,11,2,22/rA:23cCOCCCCCCCCNCNCCCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s6s10;s10;s12;s13;s9s14;s12;s16;d17;s18;d19;d16s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20N2O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.31305 |
Area: | 489.992 |
Solvation: | -3.93675 |
Coulombic: | -35.46 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 308.374 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.87 |
LogP (Chemaxon): | 3.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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