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Chemical ID: 7700567
Chemical ID:
7700567
Name [?]:
None
SMILES [?]:
CCCC(=O)Nc1cc(ccc1Cl)C(=O)Nc2cc(cc(c2)C)C
InChi [?]:
InChI=1/C19H21ClN2O2/c1-4-5-18(23)22-17-11-14(6-7-16(17)20)19(24)21-15-9-12(2)8-13(3)10-15/h6-11H,4-5H2,1-3H3,(H,21,24)(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,23,24,2,3,10,11,20,22,18,8,21,19,9,17,12,7,4,14,13,16,6,5,15/E:(2,3)(9,10)(12,13)/rA:24nCCCCONCCCCCCClCONCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s12;s9;d14;s14;s16;s17;d18;s19;d20;d17s21;s21;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21ClN2O2 |
All Atoms: | 45 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.376 |
Area: | 576.839 |
Solvation: | -3.04493 |
Coulombic: | -42.309 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.56 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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