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Chemical ID: 4678362
Chemical ID:
4678362
Name [?]:
None
SMILES [?]:
CCCC(C)C1=CC2C=CCC3C2(C=C1)C4CC=CCC45C=CC=C6C5(C3)c7ccccc7C=C6
InChi [?]:
InChI=1/C35H38/c1-3-10-25(2)27-19-22-34-29(23-27)12-8-13-30(34)24-35-28(18-17-26-11-4-5-15-31(26)35)14-9-21-33(35)20-7-6-16-32(33)34/h4-9,11-12,14-15,17-19,21-23,25,29-30,32H,3,10,13,16,20,24H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,31,30,18,19,10,23,3,32,9,11,24,29,17,34,35,15,20,22,14,7,27,4,33,6,25,8,12,28,16,21,13,26/rA:35cCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s4;d6;s7;s8;d9;s10;s11;s8s12;s13;s6d14;s13;s16;s17;d18;s19;s16s20;s21;d22;s23;d24;s21s25;s12s26;s26;s28;d29;s30;d31;d28s32;s33;s25d34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C35H38 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 7 |
ZAP Information [?]
Total: | 14.1978 |
Area: | 614.31 |
Solvation: | -1.15998 |
Coulombic: | -10.314 |
Bond Count [?]
All: | 41 |
Single: | 31 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 458.676 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 9.02 |
LogP (Chemaxon): | 8.0 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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