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Chemical ID: 5781003
Chemical ID:
5781003
Name [?]:
3-quinolyl-(5-vinylquinuclidin-2-yl)-methanol
SMILES [?]:
C=CC1CN2CCC1CC2C(c3cc4ccccc4nc3)O
InChi [?]:
InChI=1/C19H22N2O/c1-2-13-12-21-8-7-14(13)10-18(21)19(22)16-9-15-5-3-4-6-17(15)20-11-16/h2-6,9,11,13-14,18-19,22H,1,7-8,10,12H2
InChi Info:
AuxInfo=1/0/N:1,2,16,17,15,18,7,6,13,9,21,4,3,8,14,12,19,10,11,20,5,22/rA:22cCCCCNCCCCCCCCCCCCCCNCO/rB:d1;s2;s3;s4;s5;s6;s3s7;s8;s5s9;s10;s11;s12;d13;s14;d15;s16;d17;s14s18;d19;d12s20;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22N2O |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 5 |
ZAP Information [?]
Total: | 9.19173 |
Area: | 477.343 |
Solvation: | -2.74184 |
Coulombic: | -30.2572 |
Bond Count [?]
All: | 25 |
Single: | 19 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 294.391 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.69 |
LogP (Chemaxon): | 2.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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