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Chemical ID: 4852012
Chemical ID:
4852012
Name [?]:
2-[(6-methyl-2-pyridyl)aminomethyl]phenol
SMILES [?]:
Cc1cccc(n1)NCc2ccccc2O
InChi [?]:
InChI=1/C13H14N2O/c1-10-5-4-8-13(15-10)14-9-11-6-2-3-7-12(11)16/h2-8,16H,9H2,1H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,12,13,4,3,11,14,5,9,2,10,15,6,8,7,16/rA:16nCCCCCCNNCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;d11;s12;d13;d10s14;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H14N2O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.57438 |
Area: | 405.105 |
Solvation: | -2.55324 |
Coulombic: | -33.8879 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 214.263 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 2.76 |
LogP (Chemaxon): | 2.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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