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Chemical ID: 6419556
Chemical ID:
6419556
Name [?]:
1-phenyl-2-(2-pyridylamino)ethanol
SMILES [?]:
c1ccc(cc1)C(CNc2ccccn2)O
InChi [?]:
InChI=1/C13H14N2O/c16-12(11-6-2-1-3-7-11)10-15-13-8-4-5-9-14-13/h1-9,12,16H,10H2,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,12,13,3,5,11,14,8,4,7,10,15,9,16/E:(2,3)(6,7)/rA:16cCCCCCCCCNCCCCCNO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s12;d13;d10s14;s7;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H14N2O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.18348 |
Area: | 410.427 |
Solvation: | -3.0772 |
Coulombic: | -35.2924 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 214.263 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 2.25 |
LogP (Chemaxon): | 2.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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