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Chemical ID: 3969618
Chemical ID:
3969618
Name [?]:
N-phenylaniline
SMILES [?]:
c1ccc(cc1)Nc2ccccc2
InChi [?]:
InChI=1/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H
InChi Info:
AuxInfo=1/0/N:1,11,2,6,10,12,3,5,9,13,4,8,7/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)/rA:13nCCCCCCNCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H11N |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.44174 |
Area: | 338.994 |
Solvation: | -1.03311 |
Coulombic: | -14.0245 |
Bond Count [?]
All: | 14 |
Single: | 8 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 169.222 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.23 |
LogP (Chemaxon): | 3.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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