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Chemical ID: 4286403
Chemical ID:
4286403
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c3c4n2CCN(C4CCC3)CC(COc5ccccc5C)O
InChi [?]:
InChI=1/C25H30N2O2/c1-17-10-11-22-21(14-17)20-7-5-8-23-25(20)27(22)13-12-26(23)15-19(28)16-29-24-9-4-3-6-18(24)2/h3-4,6,9-11,14,19,23,28H,5,7-8,12-13,15-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,25,24,16,26,17,15,23,3,4,12,11,7,18,20,2,27,19,8,6,5,14,22,9,13,10,29,21/rA:29cCCCCCCCCCNCCNCCCCCCCOCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s5s9;s10;s11;s12;s9s13;s14;s15;s8s16;s13;s18;s19;s20;s21;s22;d23;s24;d25;d22s26;s27;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H30N2O2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 10.2711 |
Area: | 610.666 |
Solvation: | -4.99556 |
Coulombic: | -35.9218 |
Bond Count [?]
All: | 33 |
Single: | 26 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 390.518 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.33 |
LogP (Chemaxon): | 5.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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