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Chemical ID: 6681791
Chemical ID:
6681791
Name [?]:
3-methyl-N-phenyl-aniline
SMILES [?]:
Cc1cccc(c1)Nc2ccccc2
InChi [?]:
InChI=1/C13H13N/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12/h2-10,14H,1H3
InChi Info:
AuxInfo=1/0/N:1,12,11,13,4,3,10,14,5,7,2,9,6,8/E:(3,4)(7,8)/rA:14nCCCCCCCNCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s11;d12;d9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H13N |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.01937 |
Area: | 361.74 |
Solvation: | -1.02414 |
Coulombic: | -13.8076 |
Bond Count [?]
All: | 15 |
Single: | 9 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 183.249 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.67 |
LogP (Chemaxon): | 3.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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