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Chemical ID: 7648822
Chemical ID:
7648822
Name [?]:
None
SMILES [?]:
Cc1cccc2c1Oc3ccccc3C4(C2CN(CC4)C)O
InChi [?]:
InChI=1/C19H21NO2/c1-13-6-5-7-14-16-12-20(2)11-10-19(16,21)15-8-3-4-9-17(15)22-18(13)14/h3-9,16,21H,10-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,12,11,4,3,5,13,10,20,19,17,2,6,14,16,9,7,15,18,22,8/rA:22cCCCCCCCOCCCCCCCCCNCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s11;d12;d9s13;s14;s6s15;s16;s17;s18;s15s19;s18;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21NO2 |
All Atoms: | 43 |
Heavy Atoms: | 22 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.47369 |
Area: | 449.06 |
Solvation: | -2.75281 |
Coulombic: | -32.0481 |
Bond Count [?]
All: | 25 |
Single: | 19 |
Double: | 6 |
Rotors: | 0 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.42 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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