C1CC2=CC=CC=C2OC1CNCC3=CC=CC=C3
이름: N-benzyl-1-(3,4-dihydro-2H-chromen-2-yl)methanamine
SMILES: C1CC2=CC=CC=C2OC1CNCC3=CC=CC=C3

Molecular Processing

Molecular formula
C17H19NO
Molecular weight
253.34
Exact mass
253.1467
XLogP
3.17
TPSA
21.26
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
19
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
77.33

Supplementary Information

InChIKey: YGSXNPFZXQFLSH-UHFFFAOYSA-N
동의어
CHEMBL134655SCHEMBL5640879CHEMBL1180595YGSXNPFZXQFLSH-UHFFFAOYSA-NBDBM50061690Benzyl-chroman-2-ylmethyl-amine; oxalic acid3,4-dihydro-N-(phenylmethyl)-2H-1-benzopyran-2-methanamine(+/-)-3,4-dihydro-N-(phenylmethyl)-2H-1-benzopyran-2-methanamine
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