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Chemical ID: 7096547
Chemical ID:
7096547
Name [?]:
None
SMILES [?]:
COc1ccccc1CN2c3ccccc3C4(C2=O)OCCCO4
InChi [?]:
InChI=1/C19H19NO4/c1-22-17-10-5-2-7-14(17)13-20-16-9-4-3-8-15(16)19(18(20)21)23-11-6-12-24-19/h2-5,7-10H,6,11-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,14,13,5,22,7,15,12,4,21,23,9,8,16,11,3,18,17,10,19,2,20,24/E:(11,12)(23,24)/rA:24nCOCCCCCCCNCCCCCCCCOOCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;s10s17;d18;s17;s20;s21;s22;s17s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19NO4 |
All Atoms: | 43 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.65109 |
Area: | 475.321 |
Solvation: | -4.23194 |
Coulombic: | -47.4706 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 325.358 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.26 |
LogP (Chemaxon): | 2.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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