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Chemical ID: 6480695
Chemical ID:
6480695
Name [?]:
3-indolin-1-yl-1-pyrrolidin-1-yl-propan-1-one
SMILES [?]:
c1ccc2c(c1)CCN2CCC(=O)N3CCCC3
InChi [?]:
InChI=1/C15H20N2O/c18-15(17-9-3-4-10-17)8-12-16-11-7-13-5-1-2-6-14(13)16/h1-2,5-6H,3-4,7-12H2
InChi Info:
AuxInfo=1/0/N:1,2,16,17,6,3,7,11,15,18,8,10,5,4,12,9,14,13/E:(3,4)(9,10)/rA:18cCCCCCCCCNCCCONCCCC/rB:s1;d2;s3;d4;d1s5;s5;s7;s4s8;s9;s10;s11;d12;s12;s14;s15;s16;s14s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H20N2O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.59594 |
Area: | 441.671 |
Solvation: | -2.44583 |
Coulombic: | -22.3387 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 244.332 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.06 |
LogP (Chemaxon): | 1.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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