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Chemical ID: 4515321
Chemical ID:
4515321
Name [?]:
2-carbazol-9-ylethyl 2-methylprop-2-enoate
SMILES [?]:
CC(=C)C(=O)OCCn1c2ccccc2c3c1cccc3
InChi [?]:
InChI=1/C18H17NO2/c1-13(2)18(20)21-12-11-19-16-9-5-3-7-14(16)15-8-4-6-10-17(15)19/h3-10H,1,11-12H2,2H3
InChi Info:
AuxInfo=1/0/N:3,1,13,20,12,19,14,21,11,18,8,7,2,15,16,10,17,4,9,5,6/E:(3,4)(5,6)(7,8)(9,10)(14,15)(16,17)/rA:21nCCCCOOCCNCCCCCCCCCCCC/rB:s1;d2;s2;d4;s4;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;s9s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H17NO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3342 |
Area: | 494.199 |
Solvation: | -2.02073 |
Coulombic: | -29.3818 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 279.333 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.3 |
LogP (Chemaxon): | 4.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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