Chemical ID: 3957701

CC(C(=O)c1ccc2c(c1)CCN2C(=O)C3CC3)Cl
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

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