Chemical ID: 6409136

Cc1ccc(cc1C)OCCN=C2c3ccccc3NC2=O
Chemical ID:
6409136
Name [?]:
3-[2-(3,4-dimethylphenoxy)ethylimino]indolin-2-one
SMILES [?]:
Cc1ccc(cc1C)OCCN=C2c3ccccc3NC2=O
InChi [?]:
InChI=1/C18H18N2O2/c1-12-7-8-14(11-13(12)2)22-10-9-19-17-15-5-3-4-6-16(15)20-18(17)21/h3-8,11H,9-10H2,1-2H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,8,16,17,15,18,3,4,11,10,6,2,7,5,14,19,13,21,12,20,22,9/rA:22nCCCCCCCCOCCNCCCCCCCNCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;s11;w12;s13;s14;d15;s16;d17;d14s18;s19;s13s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18N2O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.46425
Area:509.986
Solvation:-4.28539
Coulombic:-35.8037
Bond Count [?]
All:24
Single:16
Double:8
Rotors:4
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:294.348
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.39
LogP (Chemaxon):4.08

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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