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Chemical ID: 6406187
Chemical ID:
6406187
Name [?]:
1-indan-5-yl-3-phenyl-propan-1-one
SMILES [?]:
c1ccc(cc1)CCC(=O)c2ccc3c(c2)CCC3
InChi [?]:
InChI=1/C18H18O/c19-18(12-9-14-5-2-1-3-6-14)17-11-10-15-7-4-8-16(15)13-17/h1-3,5-6,10-11,13H,4,7-9,12H2
InChi Info:
AuxInfo=1/0/N:1,2,6,18,3,5,19,17,7,13,12,8,16,4,14,15,11,9,10/E:(2,3)(5,6)/rA:19nCCCCCCCCCOCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18O |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.66085 |
Area: | 460.959 |
Solvation: | -1.86312 |
Coulombic: | -10.769 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 250.335 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.45 |
LogP (Chemaxon): | 4.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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