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Chemical ID: 4959111
Chemical ID:
4959111
Name [?]:
2-cyclohexylamino-1,1-diphenyl-ethanol
SMILES [?]:
c1ccc(cc1)C(CNC2CCCCC2)(c3ccccc3)O
InChi [?]:
InChI=1/C20H25NO/c22-20(17-10-4-1-5-11-17,18-12-6-2-7-13-18)16-21-19-14-8-3-9-15-19/h1-2,4-7,10-13,19,21-22H,3,8-9,14-16H2
InChi Info:
AuxInfo=1/0/N:1,19,13,2,6,18,20,12,14,3,5,17,21,11,15,8,4,16,10,7,9,22/E:(1,2)(4,5,6,7)(8,9)(10,11,12,13)(14,15)(17,18)/rA:22nCCCCCCCCNCCCCCCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s12;s13;s10s14;s7;s16;d17;s18;d19;d16s20;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25NO |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0545 |
Area: | 499.146 |
Solvation: | -2.4241 |
Coulombic: | -30.552 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 295.419 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 4.32 |
LogP (Chemaxon): | 4.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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