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Chemical ID: 6347267
Chemical ID:
6347267
Name [?]:
1-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-propan-1-one
SMILES [?]:
CC(C)(C)C(=O)N1CCCc2c1cccc2
InChi [?]:
InChI=1/C14H19NO/c1-14(2,3)13(16)15-10-6-8-11-7-4-5-9-12(11)15/h4-5,7,9H,6,8,10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,15,14,9,16,10,13,8,11,12,5,2,7,6/E:(1,2,3)/rA:16nCCCCCONCCCCCCCCC/rB:s1;s2;s2;s2;d5;s5;s7;s8;s9;s10;s7s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H19NO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.77135 |
Area: | 377.454 |
Solvation: | -1.66499 |
Coulombic: | -17.4327 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 217.307 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.37 |
LogP (Chemaxon): | 3.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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