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Chemical ID: 7969673
Chemical ID:
7969673
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1Cl)C(=O)c3cc(c(nc3O2)C)C(=O)O
InChi [?]:
InChI=1/C15H10ClNO4/c1-6-3-12-9(5-11(6)16)13(18)10-4-8(15(19)20)7(2)17-14(10)21-12/h3-5H,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,18,3,12,6,2,14,13,5,11,7,4,9,16,19,8,15,10,20,21,17/E:(19,20)/rA:21nCCCCCCCClCOCCCCNCOCCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s9;s11;d12;s13;d14;d11s15;s4s16;s14;s13;d19;s19;/rC:.9372,1.324,.3146;.6905,-.1607,.237;.7001,-.7903,-.9895;.4732,-2.1602,-1.0736;.2366,-2.8843,.105;.2291,-2.2384,1.3406;.4619,-.8802,1.4012;.4546,-.0672,2.935;-.0038,-4.3392,.0087;-.2148,-5.0189,.9958;.0243,-4.9264,-1.3458;-.1915,-6.2884,-1.541;-.151,-6.7767,-2.8513;.1023,-5.8825,-3.8981;.3009,-4.604,-3.673;.2732,-4.0888,-2.4477;.4838,-2.7701,-2.2762;.1485,-6.398,-5.3134;-.3711,-8.2098,-3.1253;-.4469,-8.6045,-4.2718;-.4879,-9.0808,-2.104;
Chemical Details
Atom Count
Formula: | C15H10ClNO4 |
All Atoms: | 31 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.71481 |
Area: | 464.838 |
Solvation: | -2.90614 |
Coulombic: | -48.7076 |
Bond Count [?]
All: | 33 |
Single: | 25 |
Double: | 8 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 303.697 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.29 |
LogP (Chemaxon): | 2.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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