Chemical ID: 4540473

CC[NH+](CC)CCOc1ccc-2c(c1)C(=O)c3c2ccc(c3)O
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

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Descriptor Annotations

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