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Chemical ID: 4772615
Chemical ID:
4772615
Name [?]:
None
SMILES [?]:
CC(C)C=CC1=CC2=C(C1)Cc3c2cccc3
InChi [?]:
InChI=1/C17H18/c1-12(2)7-8-13-9-15-11-14-5-3-4-6-16(14)17(15)10-13/h3-8,10,12H,9,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,16,15,17,14,4,5,10,7,11,2,6,12,9,13,8/E:(1,2)/rA:17nCCCCCCCCCCCCCCCCC/rB:s1;s2;s2;w4;s5;d6;s7;d8;s6s9;s9;s11;s8s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.84272 |
Area: | 422.642 |
Solvation: | -0.723335 |
Coulombic: | -4.13521 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 222.325 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 4.25 |
LogP (Chemaxon): | 3.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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