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Chemical ID: 4443524
Chemical ID:
4443524
Name [?]:
None
SMILES [?]:
c1cc(cc(c1)Cl)NC(=O)CN2C(=O)C3C4CCC(C4)C3C2=O
InChi [?]:
InChI=1/C17H17ClN2O3/c18-11-2-1-3-12(7-11)19-13(21)8-20-16(22)14-9-4-5-10(6-9)15(14)17(20)23/h1-3,7,9-10,14-15H,4-6,8H2,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,6,2,17,18,20,4,11,16,19,5,3,9,15,21,13,22,7,8,12,10,14,23/E:(4,5)(9,10)(14,15)(16,17)(22,23)/rA:23cCCCCCCClNCOCNCOCCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;s11;s12;d13;s13;s15;s16;s17;s18;s16s19;s15s19;s12s21;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17ClN2O3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 8.79543 |
Area: | 502.408 |
Solvation: | -3.76476 |
Coulombic: | -44.5893 |
Bond Count [?]
All: | 26 |
Single: | 20 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 332.781 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.02 |
LogP (Chemaxon): | 1.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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