Chemical ID: 4562715

CC1(c2c(c3ccccc3[nH]2)CC(N1C(=O)CCl)C(=O)OC)C
Chemical ID:
4562715
Name [?]:
None
SMILES [?]:
CC1(c2c(c3ccccc3[nH]2)CC(N1C(=O)CCl)C(=O)OC)C
InChi [?]:
InChI=1/C17H19ClN2O3/c1-17(2)15-11(10-6-4-5-7-12(10)19-15)8-13(16(22)23-3)20(17)14(21)9-18/h4-7,13,19H,8-9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,23,22,7,8,6,9,12,17,5,4,10,13,15,3,19,2,18,11,14,16,20,21/E:(1,2)/rA:23cCCCCCCCCCCNCCNCOCClCOOCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;s3s10;s4;s12;s2s13;s14;d15;s15;s17;s13;d19;s19;s21;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19ClN2O3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:9.33237
Area:491.807
Solvation:-2.96279
Coulombic:-47.3752
Bond Count [?]
All:25
Single:19
Double:6
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:334.797
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.17
LogP (Chemaxon):2.24

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Descriptor Annotations

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