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Chemical ID: 4122298
Chemical ID:
4122298
Name [?]:
N-(3-pyridylmethyl)aniline
SMILES [?]:
c1ccc(cc1)NCc2cccnc2
InChi [?]:
InChI=1/C12H12N2/c1-2-6-12(7-3-1)14-10-11-5-4-8-13-9-11/h1-9,14H,10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,11,10,3,5,12,14,8,9,4,13,7/E:(2,3)(6,7)/rA:14nCCCCCCNCCCCCNC/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: | 7.49366 |
Area: | 372.638 |
Solvation: | -1.82228 |
Coulombic: | -17.8301 |
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: | 2.13 |
LogP (Chemaxon): | 2.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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