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Chemical ID: 5286072
Chemical ID:
5286072
Name [?]:
None
SMILES [?]:
CC(=O)N1CN(Cn2c1nc3c2cccc3)CCc4ccccc4
InChi [?]:
InChI=1/C19H20N4O/c1-15(24)22-13-21(12-11-16-7-3-2-4-8-16)14-23-18-10-6-5-9-17(18)20-19(22)23/h2-10H,11-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,22,21,23,15,14,20,24,16,13,18,17,5,7,2,19,11,12,9,10,6,4,8,3/E:(3,4)(7,8)/rA:24cCCONCNCNCNCCCCCCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s4s8;d9;s10;s8s11;d12;s13;d14;d11s15;s6;s17;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20N4O |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.1652 |
Area: | 522.17 |
Solvation: | -2.88907 |
Coulombic: | -34.8949 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 320.388 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.29 |
LogP (Chemaxon): | 4.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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