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Chemical ID: 4185445
Chemical ID:
4185445
Name [?]:
2-azepan-1-yl-1-phenyl-ethanol
SMILES [?]:
c1ccc(cc1)C(CN2CCCCCC2)O
InChi [?]:
InChI=1/C14H21NO/c16-14(13-8-4-3-5-9-13)12-15-10-6-1-2-7-11-15/h3-5,8-9,14,16H,1-2,6-7,10-12H2
InChi Info:
AuxInfo=1/0/N:12,13,1,2,6,11,14,3,5,10,15,8,4,7,9,16/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:16cCCCCCCCCNCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s12;s13;s9s14;s7;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21NO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.78026 |
Area: | 405.711 |
Solvation: | -2.36251 |
Coulombic: | -23.8526 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 219.323 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.39 |
LogP (Chemaxon): | 2.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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