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Chemical ID: 6685595
Chemical ID:
6685595
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(c3ccc4ccccc4c3n2)C
InChi [?]:
InChI=1/C19H15N/c1-12-7-10-18-17(11-12)13(2)15-9-8-14-5-3-4-6-16(14)19(15)20-18/h3-11H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,14,15,13,16,3,11,10,4,7,2,8,12,9,17,6,5,18,19/rA:20nCCCCCCCCCCCCCCCCCCNC/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;s9;d10;s11;s12;d13;s14;d15;d12s16;d9s17;d5s18;s8;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15N |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.49646 |
Area: | 432.7 |
Solvation: | -1.32105 |
Coulombic: | -8.85314 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 257.329 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 5.62 |
LogP (Chemaxon): | 5.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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