Chemical ID: 6849438

CCCCNC(=O)C(=Cc1ccc(cc1)O)C#N
Chemical ID:
6849438
Name [?]:
N-butyl-2-cyano-3-(4-hydroxyphenyl)-prop-2-enamide
SMILES [?]:
CCCCNC(=O)C(=Cc1ccc(cc1)O)C#N
InChi [?]:
InChI=1/C14H16N2O2/c1-2-3-8-16-14(18)12(10-15)9-11-4-6-13(17)7-5-11/h4-7,9,17H,2-3,8H2,1H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,2,3,11,15,12,14,4,9,17,10,8,13,6,18,5,16,7/E:(4,5)(6,7)/rA:18nCCCCNCOCCCCCCCCOCN/rB:s1;s2;s3;s4;s5;d6;s6;w8;s9;s10;d11;s12;d13;d10s14;s13;s8;t17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H16N2O2
All Atoms:34
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.71321
Area:464.702
Solvation:-2.90433
Coulombic:-42.0311
Bond Count [?]
All:18
Single:12
Double:5
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:244.289
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.86
LogP (Chemaxon):2.3

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Descriptor Annotations

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