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Chemical ID: 4626340
Chemical ID:
4626340
Name [?]:
1-carbazol-9-yl-3-[4-(p-tolyl)piperazin-1-yl]-propan-2-ol
SMILES [?]:
Cc1ccc(cc1)N2CCN(CC2)CC(Cn3c4ccccc4c5c3cccc5)O
InChi [?]:
InChI=1/C26H29N3O/c1-20-10-12-21(13-11-20)28-16-14-27(15-17-28)18-22(30)19-29-25-8-4-2-6-23(25)24-7-3-5-9-26(24)29/h2-13,22,30H,14-19H2,1H3
InChi Info:
AuxInfo=1/0/N:1,21,28,20,27,22,29,19,26,3,7,4,6,10,12,9,13,14,16,2,5,15,23,24,18,25,11,8,17,30/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(23,24)(25,26)/rA:30cCCCCCCCNCCNCCCCCNCCCCCCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;s8s12;s11;s14;s15;s16;s17;s18;d19;s20;d21;d18s22;s23;s17s24;d25;s26;d27;d24s28;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H29N3O |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.2373 |
Area: | 630.233 |
Solvation: | -4.51857 |
Coulombic: | -36.001 |
Bond Count [?]
All: | 34 |
Single: | 25 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 399.528 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.26 |
LogP (Chemaxon): | 6.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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