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Chemical ID: 4122297
Chemical ID:
4122297
Name [?]:
N-(2-pyridylmethyl)aniline
SMILES [?]:
c1ccc(cc1)NCc2ccccn2
InChi [?]:
InChI=1/C12H12N2/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13-12/h1-9,14H,10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,11,12,3,5,10,13,8,4,9,14,7/E:(2,3)(6,7)/rA:14nCCCCCCNCCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H12N2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.45985 |
Area: | 372.779 |
Solvation: | -1.85964 |
Coulombic: | -18.0997 |
Bond Count [?]
All: | 15 |
Single: | 9 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 184.237 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.22 |
LogP (Chemaxon): | 2.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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