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Chemical ID: 4940931
Chemical ID:
4940931
Name [?]:
None
SMILES [?]:
c1ccc2cc3c(cc2c1)C(=O)N4C3(NCC4)c5ccc(cc5)Cl
InChi [?]:
InChI=1/C20H15ClN2O/c21-16-7-5-15(6-8-16)20-18-12-14-4-2-1-3-13(14)11-17(18)19(24)23(20)10-9-22-20/h1-8,11-12,22H,9-10H2
InChi Info:
AuxInfo=1/0/N:1,2,10,3,19,23,20,22,16,17,8,5,9,4,18,21,7,6,11,14,24,15,13,12/E:(5,6)(7,8)/rA:24cCCCCCCCCCCCONCNCCCCCCCCCl/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s7;d11;s11;s6s13;s14;s15;s13s16;s14;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H15ClN2O |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.4114 |
Area: | 508.244 |
Solvation: | -2.29472 |
Coulombic: | -29.6918 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 334.799 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.35 |
LogP (Chemaxon): | 4.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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