Chemical ID: 6476493

CCOC(=O)C(=Cc1cccc(c1)Oc2ccccc2)C#N
Chemical ID:
6476493
Name [?]:
ethyl 2-cyano-3-(3-phenoxyphenyl)-prop-2-enoate
SMILES [?]:
CCOC(=O)C(=Cc1cccc(c1)Oc2ccccc2)C#N
InChi [?]:
InChI=1/C18H15NO3/c1-2-21-18(20)15(13-19)11-14-7-6-10-17(12-14)22-16-8-4-3-5-9-16/h3-12H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,18,17,19,10,9,16,20,11,7,13,21,8,6,15,12,4,22,5,3,14/E:(4,5)(8,9)/rA:22nCCOCOCCCCCCCCOCCCCCCCN/rB:s1;s2;s3;d4;s4;w6;s7;s8;d9;s10;d11;d8s12;s12;s14;s15;d16;s17;d18;d15s19;s6;t21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15NO3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.63564
Area:509.45
Solvation:-3.10061
Coulombic:-32.4684
Bond Count [?]
All:23
Single:14
Double:8
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:293.317
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.35
LogP (Chemaxon):3.8

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Descriptor Annotations

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