Chemical ID: 4185445

c1ccc(cc1)C(CN2CCCCCC2)O
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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Descriptor Annotations

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