Chemical ID: 3967334

C[N+]1(CCc2cc(c(c-3c2C1Cc4c3c(c(cc4)OC)O)O)OC)C
Chemical ID:
3967334
Name [?]:
None
SMILES [?]:
C[N+]1(CCc2cc(c(c-3c2C1Cc4c3c(c(cc4)OC)O)O)OC)C
InChi [?]:
InChI=1/C20H23NO4/c1-21(2)8-7-12-10-15(25-4)20(23)18-16(12)13(21)9-11-5-6-14(24-3)19(22)17(11)18/h5-6,10,13H,7-9H2,1-4H3,(H-,22,23)/p+1
InChi Info:
AuxInfo=1/2/N:1,25,20,24,18,17,4,3,12,6,13,5,11,16,7,10,14,9,15,8,2,21,22,19,23/E:(1,2)/CRV:21+1,22-1/rA:25cCN+CCCCCCCCCCCCCCCCOCOOOCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s2s10;s11;s12;s9s13;d14;s15;d16;d13s17;s16;s19;s15;s8;s7;s23;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H24NO4+
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:-23.032
Area:493.948
Solvation:-35.3807
Coulombic:-18.2476
Bond Count [?]
All:28
Single:22
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:342.409
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:0.83
LogP (Chemaxon):-2.0

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Descriptor Annotations

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