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Chemical ID: 4221482
Chemical ID:
4221482
Name [?]:
None
SMILES [?]:
CC1(c2ccccc2N(C13C=Cc4cc(ccc4O3)O)C)C
InChi [?]:
InChI=1/C19H19NO2/c1-18(2)15-6-4-5-7-16(15)20(3)19(18)11-10-13-12-14(21)8-9-17(13)22-19/h4-12,21H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,21,5,6,4,7,16,17,12,11,14,13,15,3,8,18,2,10,9,20,19/E:(1,2)/rA:22cCCCCCCCCNCCCCCCCCCOOCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s2s9;s10;d11;s12;s13;d14;s15;d16;d13s17;s10s18;s15;s9;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19NO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.29298 |
Area: | 445.226 |
Solvation: | -2.83767 |
Coulombic: | -33.9055 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 293.36 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.11 |
LogP (Chemaxon): | 5.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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