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Chemical ID: 4254467
Chemical ID:
4254467
Name [?]:
4-(p-tolyl)aniline
SMILES [?]:
Cc1ccc(cc1)c2ccc(cc2)N
InChi [?]:
InChI=1/C13H13N/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12/h2-9H,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,4,6,9,13,10,12,2,5,8,11,14/E:(2,3)(4,5)(6,7)(8,9)/rA:14nCCCCCCCCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;d8s12;s11;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H13N |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.96434 |
Area: | 364.615 |
Solvation: | -1.15103 |
Coulombic: | -19.0395 |
Bond Count [?]
All: | 15 |
Single: | 9 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 183.249 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 3.58 |
LogP (Chemaxon): | 3.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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