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Chemical ID: 4685786
Chemical ID:
4685786
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)N2CC(N3C2c4ccccc4C3=O)C
InChi [?]:
InChI=1/C18H18N2O/c1-12-7-9-14(10-8-12)19-11-13(2)20-17(19)15-5-3-4-6-16(15)18(20)21/h3-10,13,17H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,15,16,14,17,3,7,4,6,9,2,10,5,13,18,12,19,8,11,20/E:(7,8)(9,10)/rA:21cCCCCCCCNCCNCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s8s11;s12;s13;d14;s15;d16;d13s17;s11s18;d19;s10;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18N2O |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 8.69593 |
Area: | 431.879 |
Solvation: | -2.10104 |
Coulombic: | -26.2325 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 278.348 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.2 |
LogP (Chemaxon): | 4.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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