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Chemical ID: 5767429
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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