Chemical ID: 3969618

c1ccc(cc1)Nc2ccccc2
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

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Experimental Annotations

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Descriptor Annotations

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