Chemical ID: 4772615

CC(C)C=CC1=CC2=C(C1)Cc3c2cccc3
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

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Descriptor Annotations

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