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Chemical ID: 4540473
Chemical ID:
4540473
Name [?]:
diethyl-[2-(7-hydroxy-9-oxo-fluoren-2-yl)oxyethyl]ammonium
SMILES [?]:
CC[NH+](CC)CCOc1ccc-2c(c1)C(=O)c3c2ccc(c3)O
InChi [?]:
InChI=1/C19H21NO3/c1-3-20(4-2)9-10-23-14-6-8-16-15-7-5-13(21)11-17(15)19(22)18(16)12-14/h5-8,11-12,21H,3-4,9-10H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,5,2,4,20,10,19,11,6,7,22,14,21,9,18,12,17,13,15,3,23,16,8/E:(1,2)(3,4)/rA:23nCCN+CCCCOCCCCCCCOCCCCCCO/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s11;d12;d9s13;s13;d15;s15;s12s17;d18;s19;d20;d17s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22NO3+ |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -18.8558 |
Area: | 532.043 |
Solvation: | -32.1568 |
Coulombic: | -3.8707 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 312.383 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.7 |
LogP (Chemaxon): | 2.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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