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Chemical ID: 4728747
Chemical ID:
4728747
Name [?]:
phenyl-(2-pyridyl)methanamine
SMILES [?]:
c1ccc(cc1)C(c2ccccn2)N
InChi [?]:
InChI=1/C12H12N2/c13-12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-9,12H,13H2
InChi Info:
AuxInfo=1/0/N:1,2,6,10,11,3,5,9,12,4,8,7,14,13/E:(2,3)(6,7)/rA:14cCCCCCCCCCCCCNN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s7;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H12N2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.17909 |
Area: | 358.936 |
Solvation: | -1.7943 |
Coulombic: | -19.2431 |
Bond Count [?]
All: | 15 |
Single: | 9 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 184.237 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 1.56 |
LogP (Chemaxon): | 1.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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