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Chemical ID: 7341228
Chemical ID:
7341228
Name [?]:
None
SMILES [?]:
CC(C)c1ccc2c(c1)c3c4n2CCN(C4CCC3)CC(=O)N
InChi [?]:
InChI=1/C19H25N3O/c1-12(2)13-6-7-16-15(10-13)14-4-3-5-17-19(14)22(16)9-8-21(17)11-18(20)23/h6-7,10,12,17H,3-5,8-9,11H2,1-2H3,(H2,20,23)
InChi Info:
AuxInfo=1/1/N:1,3,18,19,17,5,6,14,13,9,20,2,4,10,8,7,16,21,11,23,15,12,22/E:(1,2)/rA:23cCCCCCCCCCCCNCCNCCCCCCON/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s8;d10;s7s11;s12;s13;s14;s11s15;s16;s17;s10s18;s15;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H25N3O |
All Atoms: | 48 |
Heavy Atoms: | 23 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.11831 |
Area: | 501.907 |
Solvation: | -3.42937 |
Coulombic: | -35.9611 |
Bond Count [?]
All: | 26 |
Single: | 21 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 311.421 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.67 |
LogP (Chemaxon): | 2.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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