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Chemical ID: 5711673
Chemical ID:
5711673
Name [?]:
None
SMILES [?]:
C1CC[NH+]2C(C1)C34CC2C=CC3=CC(=O)O4
InChi [?]:
InChI=1/C13H15NO2/c15-12-7-9-4-5-10-8-13(9,16-12)11-3-1-2-6-14(10)11/h4-5,7,10-11H,1-3,6,8H2/p+1
InChi Info:
AuxInfo=1/1/N:1,2,6,11,10,3,13,8,12,9,5,14,7,4,15,16/rA:16cCCCN+CCCCCCCCCCOO/rB:s1;s2;s3;s4;s1s5;s5;s7;s4s8;s9;d10;s7s11;d12;s13;d14;s7s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H16NO2+ |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | -22.6543 |
Area: | 356.556 |
Solvation: | -31.5682 |
Coulombic: | 12.9335 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 218.272 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 0.98 |
LogP (Chemaxon): | 0.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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