Chemical ID: 4562526

Cc1ccc(c(c1)C)C(=O)CC2c3c(cc4c(c3OC)OCO4)CC[N+]2(C)C
Chemical ID:
4562526
Name [?]:
None
SMILES [?]:
Cc1ccc(c(c1)C)C(=O)CC2c3c(cc4c(c3OC)OCO4)CC[N+]2(C)C
InChi [?]:
InChI=1/C23H28NO4/c1-14-6-7-17(15(2)10-14)19(25)12-18-21-16(8-9-24(18,3)4)11-20-22(23(21)26-5)28-13-27-20/h6-7,10-11,18H,8-9,12-13H2,1-5H3/q+1
InChi Info:
AuxInfo=1/0/N:1,8,27,28,20,3,4,24,25,7,15,11,22,2,6,14,5,12,9,16,13,17,18,26,10,19,23,21/E:(3,4)/CRV:24+1/rA:28cCCCCCCCCCOCCCCCCCCOCOCOCCN+CC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;s19;s17;s21;s16s22;s14;s24;s12s25;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H28NO4+
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:-16.0513
Area:556.807
Solvation:-29.9715
Coulombic:-8.15696
Bond Count [?]
All:31
Single:24
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:382.473
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.48
LogP (Chemaxon):-0.98

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Descriptor Annotations

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