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Chemical ID: 4571157
Chemical ID:
4571157
Name [?]:
None
SMILES [?]:
CC(C)Oc1ccc(cc1)C2N3CC4(CC(C3)(CN2C4)C)C
InChi [?]:
InChI=1/C19H28N2O/c1-14(2)22-16-7-5-15(6-8-16)17-20-10-18(3)9-19(4,12-20)13-21(17)11-18/h5-8,14,17H,9-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,21,22,7,9,6,10,15,17,18,13,20,2,8,5,11,16,14,12,19,4/E:(1,2)(3,4)(5,6)(7,8)(10,11,12,13)(18,19)(20,21)/rA:22nCCCOCCCCCCCNCCCCCCNCCC/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;s12;s13;s14;s15;s12s16;s16;s11s18;s14s19;s16;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H28N2O |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.85264 |
Area: | 477.432 |
Solvation: | -2.08315 |
Coulombic: | -19.557 |
Bond Count [?]
All: | 25 |
Single: | 22 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 300.439 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.65 |
LogP (Chemaxon): | 3.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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