Chemical ID: 6741215

c1ccc2c(c1)C3(C(=O)N2C[NH+]4CCOCC4)OCCCCO3
Chemical ID:
6741215
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C3(C(=O)N2C[NH+]4CCOCC4)OCCCCO3
InChi [?]:
InChI=1/C17H22N2O4/c20-16-17(22-9-3-4-10-23-17)14-5-1-2-6-15(14)19(16)13-18-7-11-21-12-8-18/h1-2,5-6H,3-4,7-13H2/p+1
InChi Info:
AuxInfo=1/1/N:1,2,20,21,6,3,13,17,19,22,14,16,11,5,4,8,7,12,10,9,15,18,23/E:(3,4)(7,8)(9,10)(11,12)(22,23)/rA:23nCCCCCCCCONCN+CCOCCOCCCCO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s4s8;s10;s11;s12;s13;s14;s15;s12s16;s7;s18;s19;s20;s21;s7s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H23N2O4+
All Atoms:46
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:-23.0708
Area:469.478
Solvation:-34.8077
Coulombic:-13.3061
Bond Count [?]
All:26
Single:22
Double:4
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:319.376
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:0.59
LogP (Chemaxon):1.92

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Descriptor Annotations

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