Chemical ID: 4921616

c1ccc(cc1)C(=Cc2cccc(c2)Oc3ccccc3)C#N
Chemical ID:
4921616
Name [?]:
3-(3-phenoxyphenyl)-2-phenyl-prop-2-enenitrile
SMILES [?]:
c1ccc(cc1)C(=Cc2cccc(c2)Oc3ccccc3)C#N
InChi [?]:
InChI=1/C21H15NO/c22-16-19(18-9-3-1-4-10-18)14-17-8-7-13-21(15-17)23-20-11-5-2-6-12-20/h1-15H
InChi Info:
AuxInfo=1/0/N:1,19,2,6,18,20,11,10,3,5,17,21,12,8,14,22,9,4,7,16,13,23,15/E:(3,4)(5,6)(9,10)(11,12)/rA:23nCCCCCCCCCCCCCCOCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s11;d12;d9s13;s13;s15;s16;d17;s18;d19;d16s20;s7;t22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H15NO
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.2073
Area:500.596
Solvation:-2.3076
Coulombic:-15.7005
Bond Count [?]
All:25
Single:14
Double:10
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:297.35
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.36
LogP (Chemaxon):5.41

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Descriptor Annotations

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