Chemical ID: 7549221

C[NH+]1CCc2cc3c(c-4c2C1Cc5c4c(c(cc5)OC)O)OCO3
Chemical ID:
7549221
Name [?]:
None
SMILES [?]:
C[NH+]1CCc2cc3c(c-4c2C1Cc5c4c(c(cc5)OC)O)OCO3
InChi [?]:
InChI=1/C19H19NO4/c1-20-6-5-11-8-14-19(24-9-23-14)17-15(11)12(20)7-10-3-4-13(22-2)18(21)16(10)17/h3-4,8,12,21H,5-7,9H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,20,18,17,4,3,12,6,23,13,5,11,16,7,10,14,9,15,8,2,21,19,24,22/rA:24cCN+CCCCCCCCCCCCCCCCOCOOCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s2s10;s11;s12;s9s13;d14;s15;d16;d13s17;s16;s19;s15;s8;s22;s7s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20NO4+
All Atoms:44
Heavy Atoms:24
Chiral Atoms:None
ZAP Information [?]
Total:-25.3212
Area:460.117
Solvation:-36.8241
Coulombic:-4.83514
Bond Count [?]
All:28
Single:22
Double:6
Rotors:1
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.77
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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