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Chemical ID: 4672368
Chemical ID:
4672368
Name [?]:
1-methyl-4-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline
SMILES [?]:
CN1CCC(c2c1cccc2)N3CCCC3
InChi [?]:
InChI=1/C14H20N2/c1-15-11-8-14(16-9-4-5-10-16)12-6-2-3-7-13(12)15/h2-3,6-7,14H,4-5,8-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,9,14,15,11,8,4,13,16,3,6,7,5,2,12/E:(4,5)(9,10)/rA:16cCNCCCCCCCCCNCCCC/rB:s1;s2;s3;s4;s5;s2s6;d7;s8;d9;d6s10;s5;s12;s13;s14;s12s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H20N2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.81035 |
Area: | 375.038 |
Solvation: | -1.5656 |
Coulombic: | -12.3828 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 216.322 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.74 |
LogP (Chemaxon): | 2.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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