Chemical ID: 6424881

c1ccc(cc1)c2ccc(cc2)c3cccc(c3)[N+](=O)[O-]
Chemical ID:
6424881
Name [?]:
1-(3-nitrophenyl)-4-phenyl-benzene
SMILES [?]:
c1ccc(cc1)c2ccc(cc2)c3cccc(c3)[N+](=O)[O-]
InChi [?]:
InChI=1/C18H13NO2/c20-19(21)18-8-4-7-17(13-18)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-13H
InChi Info:
AuxInfo=1/0/N:1,2,6,15,3,5,14,16,8,12,9,11,18,4,7,10,13,17,19,20,21/E:(2,3)(5,6)(9,10)(11,12)(20,21)/CRV:19.5/rA:21nCCCCCCCCCCCCCCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;s13;d14;s15;d16;d13s17;s17;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H13NO2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:5.4281
Area:480.742
Solvation:-6.59046
Coulombic:-16.1336
Bond Count [?]
All:23
Single:13
Double:10
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:275.301
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.67
LogP (Chemaxon):5.37

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Descriptor Annotations

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