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Chemical ID: 4966000
Chemical ID:
4966000
Name [?]:
1-ethyl-3,4-dihydro-2H-quinoline
SMILES [?]:
CCN1CCCc2c1cccc2
InChi [?]:
InChI=1/C11H15N/c1-2-12-9-5-7-10-6-3-4-8-11(10)12/h3-4,6,8H,2,5,7,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,11,10,5,12,6,9,4,7,8,3/rA:12cCCNCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s3s7;d8;s9;d10;d7s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H15N |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.79564 |
Area: | 319.615 |
Solvation: | -1.19474 |
Coulombic: | -7.51817 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 161.244 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.86 |
LogP (Chemaxon): | 3.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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