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Chemical ID: 6126399
Chemical ID:
6126399
Name [?]:
3-indolin-1-yl-3-oxo-propanenitrile
SMILES [?]:
c1ccc2c(c1)CCN2C(=O)CC#N
InChi [?]:
InChI=1/C11H10N2O/c12-7-5-11(14)13-8-6-9-3-1-2-4-10(9)13/h1-4H,5-6,8H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,12,7,13,8,5,4,10,14,9,11/rA:14nCCCCCCCCNCOCCN/rB:s1;d2;s3;d4;d1s5;s5;s7;s4s8;s9;d10;s10;s12;t13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H10N2O |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.00968 |
Area: | 357.332 |
Solvation: | -2.92362 |
Coulombic: | -16.9348 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 186.21 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.16 |
LogP (Chemaxon): | 1.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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