Chemical ID: 5767429

c1ccc(cc1)C(=Cc2cccc(c2)[N+](=O)[O-])C#N
Chemical ID:
5767429
Name [?]:
3-(3-nitrophenyl)-2-phenyl-prop-2-enenitrile
SMILES [?]:
c1ccc(cc1)C(=Cc2cccc(c2)[N+](=O)[O-])C#N
InChi [?]:
InChI=1/C15H10N2O2/c16-11-14(13-6-2-1-3-7-13)9-12-5-4-8-15(10-12)17(18)19/h1-10H
InChi Info:
AuxInfo=1/0/N:1,2,6,11,10,3,5,12,8,14,18,9,4,7,13,19,15,16,17/E:(2,3)(6,7)(18,19)/CRV:17.5/rA:19nCCCCCCCCCCCCCCN+OO-CN/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s11;d12;d9s13;s13;d15;s15;s7;t18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H10N2O2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:4.25002
Area:441.349
Solvation:-6.78371
Coulombic:-18.1638
Bond Count [?]
All:20
Single:11
Double:8
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:250.252
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.64
LogP (Chemaxon):3.94

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