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Chemical ID: 3957701
Chemical ID:
3957701
Name [?]:
2-chloro-1-(1-cyclopropylcarbonylindolin-5-yl)-propan-1-one
SMILES [?]:
CC(C(=O)c1ccc2c(c1)CCN2C(=O)C3CC3)Cl
InChi [?]:
InChI=1/C15H16ClNO2/c1-9(16)14(18)12-4-5-13-11(8-12)6-7-17(13)15(19)10-2-3-10/h4-5,8-10H,2-3,6-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,18,6,7,11,12,10,2,16,9,5,8,3,14,19,13,4,15/E:(2,3)/rA:19cCCCOCCCCCCCCNCOCCCCl/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s9;s11;s8s12;s13;d14;s14;s16;s16s17;s2;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16ClNO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.53622 |
Area: | 455.436 |
Solvation: | -2.84969 |
Coulombic: | -24.1992 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 277.746 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.84 |
LogP (Chemaxon): | 2.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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