Chemical ID: 6470635

CC1(c2ccccc2N(C1=O)c3ccccc3)CC=C
Chemical ID:
6470635
Name [?]:
3-allyl-3-methyl-1-phenyl-indolin-2-one
SMILES [?]:
CC1(c2ccccc2N(C1=O)c3ccccc3)CC=C
InChi [?]:
InChI=1/C18H17NO/c1-3-13-18(2)15-11-7-8-12-16(15)19(17(18)20)14-9-5-4-6-10-14/h3-12H,1,13H2,2H3
InChi Info:
AuxInfo=1/0/N:20,1,19,15,14,16,5,6,13,17,4,7,18,12,3,8,10,2,9,11/E:(5,6)(9,10)/rA:20cCCCCCCCCNCOCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s2s9;d10;s9;s12;d13;s14;d15;d12s16;s2;s18;d19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17NO
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:9.25487
Area:447.87
Solvation:-1.94187
Coulombic:-20.1438
Bond Count [?]
All:22
Single:14
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:263.334
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.19
LogP (Chemaxon):4.43

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