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Chemical ID: 4555701
Chemical ID:
4555701
Name [?]:
None
SMILES [?]:
CC1Cc2c3ccccc3[nH]c2C4N1C(=O)C5C4CC=CC5
InChi [?]:
InChI=1/C19H20N2O/c1-11-10-15-12-6-4-5-9-16(12)20-17(15)18-13-7-2-3-8-14(13)19(22)21(11)18/h2-6,9,11,13-14,18,20H,7-8,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,20,21,7,8,6,19,22,9,3,2,5,18,17,4,10,12,13,15,11,14,16/rA:22cCCCCCCCCCCNCCNCOCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;d4s11;s12;s2s13;s14;d15;s15;s13s17;s18;s19;d20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20N2O |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 9.23095 |
Area: | 454.6 |
Solvation: | -2.13405 |
Coulombic: | -28.9219 |
Bond Count [?]
All: | 26 |
Single: | 20 |
Double: | 6 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 292.375 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.9 |
LogP (Chemaxon): | 3.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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