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Chemical ID: 6541605
Chemical ID:
6541605
Name [?]:
None
SMILES [?]:
CC12CCC3C1(CC23C(=O)Nc4cccc(c4Cl)Cl)C
InChi [?]:
InChI=1/C16H17Cl2NO/c1-14-8-16(11(14)6-7-15(14,16)2)13(20)19-10-5-3-4-9(17)12(10)18/h3-5,11H,6-8H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:20,1,14,15,13,4,3,7,16,12,5,17,9,6,2,8,19,18,11,10/rA:20cCCCCCCCCCONCCCCCCClClC/rB:s1;s2;s3;s4;s2s5;s6;s2s5s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s16;s6;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17Cl2NO |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 10.6977 |
Area: | 483.184 |
Solvation: | -1.38189 |
Coulombic: | -23.435 |
Bond Count [?]
All: | 23 |
Single: | 19 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 310.218 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.98 |
LogP (Chemaxon): | 3.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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