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Chemical ID: 6737457
Chemical ID:
6737457
Name [?]:
None
SMILES [?]:
c1cc(c(cc1Cl)N2C(=O)C3C4CC(C3C2=O)C=C4)O
InChi [?]:
InChI=1/C15H12ClNO3/c16-9-3-4-11(18)10(6-9)17-14(19)12-7-1-2-8(5-7)13(12)15(17)20/h1-4,6-8,12-13,18H,5H2
InChi Info:
AuxInfo=1/0/N:18,19,1,2,13,5,14,12,6,4,3,15,11,16,9,7,8,20,17,10/E:(1,2)(7,8)(12,13)(14,15)(19,20)/rA:20cCCCCCCClNCOCCCCCCOCCO/rB:s1;d2;s3;d4;d1s5;s6;s4;s8;d9;s9;s11;s12;s13;s11s14;s8s15;d16;s14;s12d18;s3;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12ClNO3 |
All Atoms: | 32 |
Heavy Atoms: | 20 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 7.63173 |
Area: | 436.598 |
Solvation: | -3.28321 |
Coulombic: | -40.763 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 289.713 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.92 |
LogP (Chemaxon): | 2.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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