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Chemical ID: 6833966
Chemical ID:
6833966
Name [?]:
(3-carbazol-9-yl-2-hydroxy-propyl)-cyclohexyl-ammonium
SMILES [?]:
c1ccc2c(c1)c3ccccc3n2CC(C[NH2+]C4CCCCC4)O
InChi [?]:
InChI=1/C21H26N2O/c24-17(14-22-16-8-2-1-3-9-16)15-23-20-12-6-4-10-18(20)19-11-5-7-13-21(19)23/h4-7,10-13,16-17,22,24H,1-3,8-9,14-15H2/p+1
InChi Info:
AuxInfo=1/1/N:21,20,22,1,9,2,10,19,23,6,8,3,11,16,14,18,15,5,7,4,12,17,13,24/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(18,19)(20,21)/rA:24cCCCCCCCCCCCCNCCCN+CCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s4s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;s18s22;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H27N2O+ |
All Atoms: | 51 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | -21.5636 |
Area: | 539.646 |
Solvation: | -35.0547 |
Coulombic: | 10.067 |
Bond Count [?]
All: | 27 |
Single: | 21 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 323.452 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 2 |
XLogP: | 4.6 |
LogP (Chemaxon): | 4.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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