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Chemical ID: 5668855
Chemical ID:
5668855
Name [?]:
None
SMILES [?]:
C[NH+]1CCC23CCCCC2C1Cc4c3cc(cc4)O
InChi [?]:
InChI=1/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,8,7,9,18,17,6,4,3,12,15,13,16,10,14,11,5,2,19/rA:19cCN+CCCCCCCCCCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s2s10;s11;s12;s5s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H24NO+ |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 21.712 |
Area: | 0.0 |
Solvation: | 21.712 |
Coulombic: | 0.0 |
Bond Count [?]
All: | 22 |
Single: | 19 |
Double: | 3 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 258.379 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 3.29 |
LogP (Chemaxon): | 3.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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