Chemical ID: 4088330

C[NH+]1CCc2cc3c(cc2C1O)OCO3
Chemical ID:
4088330
Name [?]:
None
SMILES [?]:
C[NH+]1CCc2cc3c(cc2C1O)OCO3
InChi [?]:
InChI=1/C11H13NO3/c1-12-3-2-7-4-9-10(15-6-14-9)5-8(7)11(12)13/h4-5,11,13H,2-3,6H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,4,3,6,9,14,5,10,7,8,11,2,12,15,13/rA:15cCN+CCCCCCCCCOOCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s2s10;s11;s8;s13;s7s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H14NO3+
All Atoms:15
Heavy Atoms:15
Chiral Atoms:2
ZAP Information [?]
Total:-25.1211
Area:354.066
Solvation:-33.9727
Coulombic:0.701497
Bond Count [?]
All:17
Single:14
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:208.234
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:0.91
LogP (Chemaxon):1.49

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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