Chemical ID: 5781003

C=CC1CN2CCC1CC2C(c3cc4ccccc4nc3)O
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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