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Chemical ID: 6409136
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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