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Chemical ID: 7366691
Chemical ID:
7366691
Name [?]:
(1-ethyl-2-oxo-indolin-3-ylidene)aminothiourea
SMILES [?]:
CCN1c2ccccc2C(=NNC(=S)N)C1=O
InChi [?]:
InChI=1/C11H12N4OS/c1-2-15-8-6-4-3-5-7(8)9(10(15)16)13-14-11(12)17/h3-6H,2H2,1H3,(H3,12,14,17)
InChi Info:
AuxInfo=1/1/N:1,2,7,6,8,5,9,4,10,16,13,15,11,12,3,17,14/rA:17nCCNCCCCCCCNNCSNCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;w10;s11;s12;d13;s13;s3s10;d16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H12N4OS |
All Atoms: | 29 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.2052 |
Area: | 432.541 |
Solvation: | -1.60833 |
Coulombic: | -46.6071 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 248.305 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 1.77 |
LogP (Chemaxon): | 1.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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