Chemical ID: 5285736

CC(C)c1ccc(cc1)C=C(C#N)c2nc3ccccc3o2
Chemical ID:
5285736
Name [?]:
2-benzooxazol-2-yl-3-(4-isopropylphenyl)-prop-2-enenitrile
SMILES [?]:
CC(C)c1ccc(cc1)C=C(C#N)c2nc3ccccc3o2
InChi [?]:
InChI=1/C19H16N2O/c1-13(2)15-9-7-14(8-10-15)11-16(12-20)19-21-17-5-3-4-6-18(17)22-19/h3-11,13H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,18,19,17,20,6,8,5,9,10,12,2,7,4,11,16,21,14,13,15,22/E:(1,2)(7,8)(9,10)/rA:22nCCCCCCCCCCCCNCNCCCCCCO/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;w10;s11;t12;s11;d14;s15;s16;d17;s18;d19;d16s20;s14s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16N2O
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.7666
Area:503.334
Solvation:-1.8168
Coulombic:-21.2178
Bond Count [?]
All:24
Single:15
Double:8
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:288.343
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.48
LogP (Chemaxon):5.37

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