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Chemical ID: 4819080
Chemical ID:
4819080
Name [?]:
None
SMILES [?]:
CC(C)N1CCC2(CC1)N3C(CC(=N3)c4ccc(c(c4)Cl)Cl)c5ccccc5O2
InChi [?]:
InChI=1/C23H25Cl2N3O/c1-15(2)27-11-9-23(10-12-27)28-21(17-5-3-4-6-22(17)29-23)14-20(26-28)16-7-8-18(24)19(25)13-16/h3-8,13,15,21H,9-12,14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,25,26,24,27,16,17,6,8,5,9,20,12,2,15,23,18,19,13,11,28,7,22,21,14,4,10,29/E:(1,2)(9,10)(11,12)/rA:29cCCCNCCCCCNCCCNCCCCCCClClCCCCCCO/rB:s1;s2;s2;s4;s5;s6;s7;s4s8;s7;s10;s11;s12;s10d13;s13;s15;d16;s17;d18;d15s19;s19;s18;s11;s23;d24;s25;d26;d23s27;s7s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H25Cl2N3O |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 12.5754 |
Area: | 628.875 |
Solvation: | -3.14645 |
Coulombic: | -20.7391 |
Bond Count [?]
All: | 33 |
Single: | 26 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 430.37 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 6.12 |
LogP (Chemaxon): | 5.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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